[Synonyms]
ZINC00882458
ASN 03575339
[Structure]
![ZINC00882458,ASN 03575339, 2-[5-(4-fluorophenyl)thieno[3,,2-e]pyrimidi](/file/upload/dataimg/114/1139722.png)
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 2-[5-(4-fluorophenyl)thieno[3,
2-e]pyrimidin-4-yl]sulfanyl-1-(3-methoxyphenyl)ethanone
Canonical SMILES: COC1=CC=CC(=C1)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)F
InChI: InChI=1/C21H15FN2O2S2/c1-26-16-4-2-3-14(9-16)18(25)11-28-21-19-17(10-27-
20(19)23-12-24-21)13-5-7-15(22)8-6-13/h2-10,12H,11H2,1H3
ZINC00882458
ASN 03575339
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 410.484403 [g/mol] |
| Molecular Formula | C21H15FN2O2S2 |
| XLogP | 4.4 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 5 |
| Rotatable Bond Count | 6 |
| Tautomer Count | 2 |
| Exact Mass | 410.055897 |
| MonoIsotopic Mass | 410.055897 |
| Topological Polar Surface Area | 52.1 |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 533 |
| 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: 2-[5-(4-fluorophenyl)thieno[3,
2-e]pyrimidin-4-yl]sulfanyl-1-(3-methoxyphenyl)ethanone
Canonical SMILES: COC1=CC=CC(=C1)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)F
InChI: InChI=1/C21H15FN2O2S2/c1-26-16-4-2-3-14(9-16)18(25)11-28-21-19-17(10-27-
20(19)23-12-24-21)13-5-7-15(22)8-6-13/h2-10,12H,11H2,1H3
