3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-{[(pyridin-3-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-{[(pyridin-3-yl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-{[(pyridin-3-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-1558 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-{[(pyridin-3-yl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 572.64 |
| Molecular Formula: | C30 H28 N4 O6 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c1)SCc1cccnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5608 |
| logD: | 2.5481 |
| logSw: | -2.9003 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.49 |
| InChI Key: | QVCSAYHQCQYEDC-UHFFFAOYSA-N |