2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0530 |
| Compound Name: | 2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 543.69 |
| Molecular Formula: | C31 H33 N3 O4 S |
| Smiles: | CC(C)CCNC(c1ccc2C(N(C(=Nc2c1)SCC(c1ccc(C)cc1C)=O)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6477 |
| logD: | 5.6476 |
| logSw: | -5.4108 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.477 |
| InChI Key: | URAIEGVBCDRDOO-UHFFFAOYSA-N |