N-cyclopropyl-4-{[2-{[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-cyclopropyl-4-{[2-{[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide
N-cyclopropyl-4-{[2-{[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | G629-0151 |
| Compound Name: | N-cyclopropyl-4-{[2-{[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide |
| Molecular Weight: | 520.56 |
| Molecular Formula: | C27 H22 F2 N4 O3 S |
| Smiles: | C1CC1NC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC(Nc2cc(ccc2F)F)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7755 |
| logD: | 3.7695 |
| logSw: | -4.1218 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.692 |
| InChI Key: | PQHKAKOLOQLDTE-UHFFFAOYSA-N |