methyl 3-[(7-chloroquinolin-4-yl)amino]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(7-chloroquinolin-4-yl)amino]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(7-chloroquinolin-4-yl)amino]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2839 |
| Compound Name: | methyl 3-[(7-chloroquinolin-4-yl)amino]-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 520.97 |
| Molecular Formula: | C26 H18 Cl F N4 O3 S |
| Smiles: | COC(c1ccc2C(N(C(=Nc2c1)SCc1cccc(c1)F)Nc1ccnc2cc(ccc12)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4479 |
| logD: | 5.4391 |
| logSw: | -5.9993 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.232 |
| InChI Key: | CWKZAFKTEYSFMR-UHFFFAOYSA-N |