7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0748 |
| Compound Name: | 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 467.54 |
| Molecular Formula: | C24 H25 N3 O5 S |
| Smiles: | COc1ccccc1CN1C(c2ccc(cc2NC1=S)C(N1CCC2(CC1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4216 |
| logD: | 2.4214 |
| logSw: | -3.1857 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.034 |
| InChI Key: | WSDOQBCRDKZWMW-UHFFFAOYSA-N |