3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-ethyl-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
Chemical Structure Depiction of
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-ethyl-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-ethyl-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
Compound characteristics
| Compound ID: | S413-0265 |
| Compound Name: | 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-ethyl-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C23 H31 N3 O4 |
| Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(N1CCC2(CC1)OCCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9315 |
| logD: | 1.9315 |
| logSw: | -2.6257 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.663 |
| InChI Key: | JFWBZBRVDSOCGN-FQEVSTJZSA-N |