N-(4-butoxyphenyl)-8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazole-3-carbothioamide
Chemical Structure Depiction of
N-(4-butoxyphenyl)-8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazole-3-carbothioamide
N-(4-butoxyphenyl)-8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazole-3-carbothioamide
Compound characteristics
| Compound ID: | 5989-0683 |
| Compound Name: | N-(4-butoxyphenyl)-8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazole-3-carbothioamide |
| Molecular Weight: | 433.62 |
| Molecular Formula: | C26 H31 N3 O S |
| Smiles: | CCCCOc1ccc(cc1)NC(N1CCn2c3C1CCCc3c1cc(C)ccc12)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.597 |
| logD: | 7.597 |
| logSw: | -5.6702 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 18.0008 |
| InChI Key: | DASXHPSFAWBMEU-DEOSSOPVSA-N |