N-(2-{[(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}ethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(2-{[(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}ethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(2-{[(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}ethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | Y042-4204 |
| Compound Name: | N-(2-{[(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}ethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C23 H25 N3 O6 S |
| Smiles: | COc1cc2C(NC(CSCCNC(c3ccc4c(c3)OCCCO4)=O)=Nc2cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4841 |
| logD: | 1.4839 |
| logSw: | -2.5608 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.842 |
| InChI Key: | RXFIDJWLMZRSHK-UHFFFAOYSA-N |