2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-N-cyclopentyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-N-cyclopentyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-N-cyclopentyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0386 |
| Compound Name: | 2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-N-cyclopentyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 535.62 |
| Molecular Formula: | C28 H29 N3 O6 S |
| Smiles: | C1CCC(C1)NC(c1ccc2C(N(CC3CCCO3)C(=Nc2c1)SCC(c1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5883 |
| logD: | 3.5883 |
| logSw: | -3.9896 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.292 |
| InChI Key: | WVFCYWHPHIDKDX-HXUWFJFHSA-N |