7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(oxolan-2-yl)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-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-1807 |
| Compound Name: | 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C21 H25 N3 O5 S |
| Smiles: | C1CC(CN2C(c3ccc(cc3NC2=S)C(N2CCC3(CC2)OCCO3)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9123 |
| logD: | 0.9118 |
| logSw: | -2.4306 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.057 |
| InChI Key: | RRIWOWPLNGAAFX-OAHLLOKOSA-N |