({3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetonitrile
Chemical Structure Depiction of
({3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetonitrile
({3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetonitrile
Compound characteristics
| Compound ID: | K284-1555 |
| Compound Name: | ({3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetonitrile |
| Molecular Weight: | 520.56 |
| Molecular Formula: | C26 H24 N4 O6 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8368 |
| logD: | 1.8368 |
| logSw: | -2.7466 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.735 |
| InChI Key: | WKMSTCCCJMRFEA-UHFFFAOYSA-N |