4-benzyl-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-benzyl-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide
4-benzyl-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C066-3547 |
| Compound Name: | 4-benzyl-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C25 H29 N5 O S |
| Smiles: | C1CCC2=Nc3ccc(cc3C(N2CC1)=O)NC(N1CCN(CC1)Cc1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.4628 |
| logD: | 3.213 |
| logSw: | -3.8507 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.159 |
| InChI Key: | WXXICLDVQJRHCX-UHFFFAOYSA-N |