3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(2-oxo-2-phenylethyl)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-oxo-2-phenylethyl)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-oxo-2-phenylethyl)sulfanyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-1553 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]quinazolin-4(3H)-one |
| Molecular Weight: | 599.66 |
| Molecular Formula: | C32 H29 N3 O7 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c1)SCC(c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2704 |
| logD: | 3.2704 |
| logSw: | -3.6507 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.219 |
| InChI Key: | QZGACKWOVMYLKZ-UHFFFAOYSA-N |