N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)azepane-1-carbothioamide
Chemical Structure Depiction of
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)azepane-1-carbothioamide
N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)azepane-1-carbothioamide
Compound characteristics
| Compound ID: | C066-3533 |
| Compound Name: | N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)azepane-1-carbothioamide |
| Molecular Weight: | 370.52 |
| Molecular Formula: | C20 H26 N4 O S |
| Smiles: | C1CCCN(CC1)C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.6424 |
| logD: | 3.6424 |
| logSw: | -3.9307 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.949 |
| InChI Key: | HAKVYRWYPFDHOK-UHFFFAOYSA-N |