2-[(cyanomethyl)sulfanyl]-N-cyclopentyl-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-N-cyclopentyl-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-N-cyclopentyl-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0055 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-N-cyclopentyl-3-(3-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C22 H19 F N4 O2 S |
| Smiles: | C1CCC(C1)NC(c1ccc2C(N(C(=Nc2c1)SCC#N)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9335 |
| logD: | 2.9335 |
| logSw: | -3.6773 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.427 |
| InChI Key: | NESQWXZKHMRODV-UHFFFAOYSA-N |