2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(2-methoxyphenyl)methyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(2-methoxyphenyl)methyl]quinazolin-4(3H)-one
2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(2-methoxyphenyl)methyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-2131 |
| Compound Name: | 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(2-methoxyphenyl)methyl]quinazolin-4(3H)-one |
| Molecular Weight: | 565.69 |
| Molecular Formula: | C30 H35 N3 O6 S |
| Smiles: | CC(C)(C)C(CSC1=Nc2cc(ccc2C(N1Cc1ccccc1OC)=O)C(N1CCC2(CC1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4573 |
| logD: | 3.4573 |
| logSw: | -3.8189 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.005 |
| InChI Key: | PICQLKIEVZQRIH-UHFFFAOYSA-N |