4-{[2-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(3-methylbutyl)benzamide
Chemical Structure Depiction of
4-{[2-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(3-methylbutyl)benzamide
4-{[2-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(3-methylbutyl)benzamide
Compound characteristics
| Compound ID: | G629-0228 |
| Compound Name: | 4-{[2-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(3-methylbutyl)benzamide |
| Molecular Weight: | 549.09 |
| Molecular Formula: | C29 H29 Cl N4 O3 S |
| Smiles: | CC(C)CCNC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC(Nc2cccc(c2)[Cl])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4425 |
| logD: | 5.4424 |
| logSw: | -5.7662 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.447 |
| InChI Key: | MRAQDUUUWLEHDC-UHFFFAOYSA-N |