3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-{[(2-methylphenyl)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-{[(2-methylphenyl)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-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-1556 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 585.68 |
| Molecular Formula: | C32 H31 N3 O6 S |
| Smiles: | Cc1ccccc1CSC1=Nc2cc(ccc2C(N1Cc1ccc2c(c1)OCO2)=O)C(N1CCC2(CC1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6505 |
| logD: | 4.6505 |
| logSw: | -4.3342 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.972 |
| InChI Key: | PYGQNUCCGKPYJA-UHFFFAOYSA-N |