4-{[6-chloro-2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
4-{[6-chloro-2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
4-{[6-chloro-2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | G629-0307 |
| Compound Name: | 4-{[6-chloro-2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide |
| Molecular Weight: | 539.03 |
| Molecular Formula: | C27 H24 Cl F N4 O3 S |
| Smiles: | CC(C)NC(c1ccc(CN2C(=Nc3ccc(cc3C2=O)[Cl])SCC(Nc2ccc(cc2)F)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7533 |
| logD: | 4.7532 |
| logSw: | -4.7489 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.579 |
| InChI Key: | AXQIKEAYHYKDGG-UHFFFAOYSA-N |