7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-2135 |
| Compound Name: | 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 602.67 |
| Molecular Formula: | C31 H30 N4 O7 S |
| Smiles: | COc1ccccc1CN1C(=Nc2cc(ccc2C1=O)C(N1CCC2(CC1)OCCO2)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7934 |
| logD: | 3.7934 |
| logSw: | -3.9314 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 97.868 |
| InChI Key: | JNQOUSZTTMTZMF-UHFFFAOYSA-N |