2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0581 |
| Compound Name: | 2-{[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CCCNC(c1ccc2C(N(CC(C)C)C(=Nc2c1)SCC(c1cc(C)ccc1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9678 |
| logD: | 4.9678 |
| logSw: | -4.5197 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.816 |
| InChI Key: | KVXANDWGXUUSMG-UHFFFAOYSA-N |