4-{[6-chloro-2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
4-{[6-chloro-2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
4-{[6-chloro-2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | G629-0302 |
| Compound Name: | 4-{[6-chloro-2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide |
| Molecular Weight: | 549.09 |
| Molecular Formula: | C29 H29 Cl N4 O3 S |
| Smiles: | CC(C)NC(c1ccc(CN2C(=Nc3ccc(cc3C2=O)[Cl])SCC(Nc2ccc(C)c(C)c2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7116 |
| logD: | 5.7116 |
| logSw: | -5.8119 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.579 |
| InChI Key: | YRCRRQPUJNOMAZ-UHFFFAOYSA-N |