3-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methyl}-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methyl}-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methyl}-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7513 |
| Compound Name: | 3-{[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]methyl}-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 525.62 |
| Molecular Formula: | C27 H31 N3 O6 S |
| Smiles: | CCOc1cc2C(N(Cc3ccc(cc3)C(N3CCC4(CC3)OCCO4)=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3055 |
| logD: | 2.2984 |
| logSw: | -3.1184 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.824 |
| InChI Key: | FQSXPOGMQOXBIR-UHFFFAOYSA-N |