N-(3,4-dimethylphenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide
N-(3,4-dimethylphenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D325-0567 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 473.64 |
| Molecular Formula: | C28 H31 N3 O2 S |
| Smiles: | CCN1C(=NC2=C(C1=O)C1(CCCC1)Cc1ccccc12)SCC(Nc1ccc(C)c(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9427 |
| logD: | 5.9427 |
| logSw: | -5.3411 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.061 |
| InChI Key: | KXGDSYPPCFILHX-UHFFFAOYSA-N |