N-cyclopentyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
N-cyclopentyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0158 |
| Compound Name: | N-cyclopentyl-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 511.69 |
| Molecular Formula: | C31 H33 N3 O2 S |
| Smiles: | Cc1ccc(C)c(CSC2=Nc3cc(ccc3C(N2CCc2ccccc2)=O)C(NC2CCCC2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.7895 |
| logD: | 6.7895 |
| logSw: | -5.5019 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.254 |
| InChI Key: | JHBSNYLSTTZZIJ-UHFFFAOYSA-N |