2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K289-0478 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 542.45 |
| Molecular Formula: | C25 H24 Br N3 O4 S |
| Smiles: | C=CCN1C(=Nc2cc(ccc2C1=O)C(NCC1CCCO1)=O)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.379 |
| logD: | 3.379 |
| logSw: | -3.9091 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.336 |
| InChI Key: | MWAZYHLHAQQDIS-LJQANCHMSA-N |