3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3798 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 538.62 |
| Molecular Formula: | C27 H30 N4 O6 S |
| Smiles: | COCCNC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c1)SCC(NC1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7881 |
| logD: | 2.7881 |
| logSw: | -3.4943 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.318 |
| InChI Key: | NRYAVVGUDAXPLB-UHFFFAOYSA-N |