2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0052 |
| Compound Name: | 2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C27 H24 F N3 O2 S |
| Smiles: | CC(C)NC(c1ccc2C(N(C(=Nc2c1)SCc1ccc(C=C)cc1)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5406 |
| logD: | 4.5405 |
| logSw: | -4.3394 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.819 |
| InChI Key: | LFWNJCSWBMQCLN-UHFFFAOYSA-N |