3-(3-methylbutyl)-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3-methylbutyl)-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
3-(3-methylbutyl)-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1375 |
| Compound Name: | 3-(3-methylbutyl)-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 507.65 |
| Molecular Formula: | C28 H33 N3 O4 S |
| Smiles: | CC(C)CCN1C(=Nc2cc(ccc2C1=O)C(NCC1CCCO1)=O)SCC(c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0613 |
| logD: | 4.0613 |
| logSw: | -4.1452 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.336 |
| InChI Key: | LABAFMUWNJWYAZ-JOCHJYFZSA-N |