2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-hexylacetamide
Chemical Structure Depiction of
2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-hexylacetamide
2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-hexylacetamide
Compound characteristics
| Compound ID: | Y503-4304 |
| Compound Name: | 2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-hexylacetamide |
| Molecular Weight: | 447.99 |
| Molecular Formula: | C21 H26 Cl N5 O2 S |
| Smiles: | CCCCCCNC(CSC1=Nc2ccccc2C(N1CCn1cc(cn1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3243 |
| logD: | 3.3243 |
| logSw: | -3.8095 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.09 |
| InChI Key: | BFDNMPKVSCAMKH-UHFFFAOYSA-N |