4-{[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-pentylbenzamide
Chemical Structure Depiction of
4-{[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-pentylbenzamide
4-{[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-pentylbenzamide
Compound characteristics
| Compound ID: | K284-4547 |
| Compound Name: | 4-{[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-pentylbenzamide |
| Molecular Weight: | 563.12 |
| Molecular Formula: | C30 H31 Cl N4 O3 S |
| Smiles: | CCCCCNC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC(Nc2ccc(C)c(c2)[Cl])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2942 |
| logD: | 6.2941 |
| logSw: | -5.9053 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.447 |
| InChI Key: | PMARVGVWXYHFKR-UHFFFAOYSA-N |