[Synonyms]
ZINC00882093
[Structure]
![ZINC00882093 N-[[(2R)-oxolan-2-yl]methyl]-N-(4-phenyl-1,,3-thiazol-2-y](/file/upload/dataimg/114/1139419.png)
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-N-(4-phenyl-1,
3-thiazol-2-yl)cyclohexanecarboxamide
Canonical SMILES: C1CCC(CC1)C(=O)N(CC2CCCO2)C3=NC(=CS3)C4=CC=CC=C4
Isomeric SMILES: C1CCC(CC1)C(=O)N(C[C@H]2CCCO2)C3=NC(=CS3)C4=CC=CC=C4
InChI: InChI=1/C21H26N2O2S/c24-20(17-10-5-2-6-11-17)23(14-18-12-7-13-25-18)21-
22-19(15-26-21)16-8-3-1-4-9-16/h1,3-4,8-9,15,17-18H,2,5-7,
10-14H2/t18-/m1/s1
ZINC00882093
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 370.50834 [g/mol] |
| Molecular Formula | C21H26N2O2S |
| XLogP | 4.5 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 370.171499 |
| MonoIsotopic Mass | 370.171499 |
| Topological Polar Surface Area | 42.4 |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 463 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 1 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-N-(4-phenyl-1,
3-thiazol-2-yl)cyclohexanecarboxamide
Canonical SMILES: C1CCC(CC1)C(=O)N(CC2CCCO2)C3=NC(=CS3)C4=CC=CC=C4
Isomeric SMILES: C1CCC(CC1)C(=O)N(C[C@H]2CCCO2)C3=NC(=CS3)C4=CC=CC=C4
InChI: InChI=1/C21H26N2O2S/c24-20(17-10-5-2-6-11-17)23(14-18-12-7-13-25-18)21-
22-19(15-26-21)16-8-3-1-4-9-16/h1,3-4,8-9,15,17-18H,2,5-7,
10-14H2/t18-/m1/s1
