4-{[2-{[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
4-{[2-{[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
4-{[2-{[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | G629-0090 |
| Compound Name: | 4-{[2-{[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide |
| Molecular Weight: | 535.06 |
| Molecular Formula: | C28 H27 Cl N4 O3 S |
| Smiles: | CC(C)NC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC(Nc2ccc(C)cc2[Cl])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5403 |
| logD: | 4.5402 |
| logSw: | -4.5315 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.882 |
| InChI Key: | PCAUPULPJZLMFC-UHFFFAOYSA-N |