N-cyclopentyl-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-cyclopentyl-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0555 |
| Compound Name: | N-cyclopentyl-2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 541.67 |
| Molecular Formula: | C31 H31 N3 O4 S |
| Smiles: | Cc1ccc(C(CSC2=Nc3cc(ccc3C(N2c2ccc(cc2)OC)=O)C(NC2CCCC2)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4986 |
| logD: | 5.4985 |
| logSw: | -5.3429 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.455 |
| InChI Key: | QVABSHIXDYPSQJ-UHFFFAOYSA-N |