ethyl 2-{[3-(3,4-dichlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}pentanoate
Chemical Structure Depiction of
ethyl 2-{[3-(3,4-dichlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}pentanoate
ethyl 2-{[3-(3,4-dichlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}pentanoate
Compound characteristics
| Compound ID: | V004-3633 |
| Compound Name: | ethyl 2-{[3-(3,4-dichlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}pentanoate |
| Molecular Weight: | 451.37 |
| Molecular Formula: | C21 H20 Cl2 N2 O3 S |
| Smiles: | CCCC(C(=O)OCC)SC1=Nc2ccccc2C(N1c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7105 |
| logD: | 5.7105 |
| logSw: | -5.8726 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.185 |
| InChI Key: | ADQJFGZVRNEFSD-SFHVURJKSA-N |