N-cyclopentyl-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
N-cyclopentyl-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0388 |
| Compound Name: | N-cyclopentyl-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 519.66 |
| Molecular Formula: | C29 H33 N3 O4 S |
| Smiles: | Cc1ccc(C(CSC2=Nc3cc(ccc3C(N2CC2CCCO2)=O)C(NC2CCCC2)=O)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5502 |
| logD: | 4.5502 |
| logSw: | -4.3511 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.177 |
| InChI Key: | CFQLCOIRIGKYKE-JOCHJYFZSA-N |