2-[(cyanomethyl)sulfanyl]-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0073 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H19 F N4 O2 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(C(=Nc2c1)SCC#N)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6415 |
| logD: | 2.6414 |
| logSw: | -3.2121 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.608 |
| InChI Key: | FYKJEIRCBLHHRZ-UHFFFAOYSA-N |