3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-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-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3800 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 578.69 |
| Molecular Formula: | C30 H34 N4 O6 S |
| Smiles: | COCCNC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c1)SCC(NCCC1CCCCC=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.174 |
| logD: | 3.174 |
| logSw: | -3.588 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.26 |
| InChI Key: | HGHSJCIAYBZXAF-UHFFFAOYSA-N |