N-cyclopropyl-4-{[2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-cyclopropyl-4-{[2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide
N-cyclopropyl-4-{[2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | G629-0138 |
| Compound Name: | N-cyclopropyl-4-{[2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C29 H28 N4 O3 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSC1=Nc2ccccc2C(N1Cc1ccc(cc1)C(NC1CC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0908 |
| logD: | 4.0908 |
| logSw: | -4.2178 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.692 |
| InChI Key: | KMTPFFMGYLFQFK-UHFFFAOYSA-N |