2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y503-4295 |
| Compound Name: | 2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 484.92 |
| Molecular Formula: | C21 H17 Cl N6 O4 S |
| Smiles: | C(Cn1cc(cn1)[Cl])N1C(=Nc2ccccc2C1=O)SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1321 |
| logD: | 3.1317 |
| logSw: | -3.8124 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.036 |
| InChI Key: | OOQSQYQENNNBRN-UHFFFAOYSA-N |