N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)pyrrolidine-1-carbothioamide
Chemical Structure Depiction of
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)pyrrolidine-1-carbothioamide
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)pyrrolidine-1-carbothioamide
Compound characteristics
| Compound ID: | C066-3532 |
| Compound Name: | N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)pyrrolidine-1-carbothioamide |
| Molecular Weight: | 342.46 |
| Molecular Formula: | C18 H22 N4 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(N1CCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.8543 |
| logD: | 2.8542 |
| logSw: | -3.6108 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.984 |
| InChI Key: | ACUYOSQSWNMJLM-UHFFFAOYSA-N |