2-[(cyanomethyl)sulfanyl]-3-(3-fluorophenyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-3-(3-fluorophenyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
2-[(cyanomethyl)sulfanyl]-3-(3-fluorophenyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0001 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-3-(3-fluorophenyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C20 H17 F N4 O2 S |
| Smiles: | CCCNC(c1ccc2C(N(C(=Nc2c1)SCC#N)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2819 |
| logD: | 2.2819 |
| logSw: | -2.9361 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.449 |
| InChI Key: | BEWKXNVZCRTBKJ-UHFFFAOYSA-N |