N-cyclopentyl-4-{[2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-cyclopentyl-4-{[2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide
N-cyclopentyl-4-{[2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | G629-0187 |
| Compound Name: | N-cyclopentyl-4-{[2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide |
| Molecular Weight: | 540.68 |
| Molecular Formula: | C31 H32 N4 O3 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSC1=Nc2ccccc2C(N1Cc1ccc(cc1)C(NC1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0224 |
| logD: | 5.0224 |
| logSw: | -4.5096 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.727 |
| InChI Key: | XZHCQNUDLQSARY-UHFFFAOYSA-N |