N-[(3-chlorophenyl)methyl]-4-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-4-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide
N-[(3-chlorophenyl)methyl]-4-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide
Compound characteristics
| Compound ID: | K284-3364 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-4-{2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide |
| Molecular Weight: | 426.92 |
| Molecular Formula: | C21 H19 Cl N4 O2 S |
| Smiles: | C(CC(NCc1cccc(c1)[Cl])=O)CN1C(=Nc2ccccc2C1=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 2.3408 |
| logD: | 2.3408 |
| logSw: | -3.5482 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.984 |
| InChI Key: | YSRLVPMJEMMVLQ-UHFFFAOYSA-N |