4-(4-methoxyphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
4-(4-methoxyphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide
4-(4-methoxyphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C066-3517 |
| Compound Name: | 4-(4-methoxyphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C25 H29 N5 O2 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.8857 |
| logD: | 3.8719 |
| logSw: | -4.0199 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.422 |
| InChI Key: | KXDGXXAPMONETN-UHFFFAOYSA-N |