4-{[2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-propylbenzamide
Chemical Structure Depiction of
4-{[2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-propylbenzamide
4-{[2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-propylbenzamide
Compound characteristics
| Compound ID: | G629-0044 |
| Compound Name: | 4-{[2-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-propylbenzamide |
| Molecular Weight: | 521.04 |
| Molecular Formula: | C27 H25 Cl N4 O3 S |
| Smiles: | CCCNC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC(Nc2ccc(cc2)[Cl])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.483 |
| logD: | 4.4829 |
| logSw: | -4.6968 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.447 |
| InChI Key: | VFFKMYFYIDGUAK-UHFFFAOYSA-N |