N-cyclopentyl-2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-cyclopentyl-2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1257 |
| Compound Name: | N-cyclopentyl-2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 539.7 |
| Molecular Formula: | C32 H33 N3 O3 S |
| Smiles: | Cc1ccc(CN2C(=Nc3cc(ccc3C2=O)C(NC2CCCC2)=O)SCC(c2cc(C)ccc2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4035 |
| logD: | 6.4035 |
| logSw: | -5.4477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.523 |
| InChI Key: | GCIWHWKIRZJYJD-UHFFFAOYSA-N |