3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)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-[(3,3-dimethyl-2-oxobutyl)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-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-1554 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 579.67 |
| Molecular Formula: | C30 H33 N3 O7 S |
| Smiles: | CC(C)(C)C(CSC1=Nc2cc(ccc2C(N1Cc1ccc2c(c1)OCO2)=O)C(N1CCC2(CC1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3765 |
| logD: | 3.3765 |
| logSw: | -3.7484 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.49 |
| InChI Key: | USOALUJATQYCHD-UHFFFAOYSA-N |