[Synonyms]
ZINC00937352
[Structure]
![ZINC00937352 N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-di(phenyl)acet](/file/upload/dataimg/118/1179169.png)
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-di(phenyl)acetamide
Canonical SMILES: CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1/C25H22N2OS/c1-2-18-13-15-19(16-14-18)22-17-29-25(26-22)27-24(28)
23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17,23H,2H2,1H3,(H,26,27,
28)/f/h27H
ZINC00937352
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 398.51998 [g/mol] |
| Molecular Formula | C25H22N2OS |
| XLogP | 6.2 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 2 |
| Rotatable Bond Count | 6 |
| Tautomer Count | 3 |
| Exact Mass | 398.145284 |
| MonoIsotopic Mass | 398.145284 |
| Topological Polar Surface Area | 42 |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 489 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| 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-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-di(phenyl)acetamide
Canonical SMILES: CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1/C25H22N2OS/c1-2-18-13-15-19(16-14-18)22-17-29-25(26-22)27-24(28)
23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17,23H,2H2,1H3,(H,26,27,
28)/f/h27H
