N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
Chemical Structure Depiction of
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
Compound characteristics
| Compound ID: | C066-3513 |
| Compound Name: | N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(N1CCC2(CC1)OCCO2)=S |
| Stereo: | ACHIRAL |
| logP: | 2.209 |
| logD: | 2.209 |
| logSw: | -3.1184 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.055 |
| InChI Key: | WBWXOKWESUKJSK-UHFFFAOYSA-N |