3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinazolin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-1557 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 606.1 |
| Molecular Formula: | C31 H28 Cl N3 O6 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c1)SCc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5091 |
| logD: | 4.5091 |
| logSw: | -4.5916 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.972 |
| InChI Key: | HLALPAXHPITCJO-UHFFFAOYSA-N |