7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-{[(2-methylphenyl)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-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-2134 |
| Compound Name: | 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 571.7 |
| Molecular Formula: | C32 H33 N3 O5 S |
| Smiles: | Cc1ccccc1CSC1=Nc2cc(ccc2C(N1Cc1ccccc1OC)=O)C(N1CCC2(CC1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7313 |
| logD: | 4.7313 |
| logSw: | -4.4175 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.487 |
| InChI Key: | PCHXBRCWQNRAFL-UHFFFAOYSA-N |