2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | F067-0541 |
Compound Name: | 2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
Molecular Weight: | 515.63 |
Molecular Formula: | C29 H29 N3 O4 S |
Smiles: | CC(C)NC(c1ccc2C(N(C(=Nc2c1)SCC(c1ccc(C)cc1C)=O)c1ccc(cc1)OC)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7752 |
logD: | 4.7751 |
logSw: | -4.5538 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.609 |
InChI Key: | VWTUILQTXKJNOH-UHFFFAOYSA-N |