4-(2H-1,3-benzodioxol-5-yl)-N-(3-ethoxypropyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-N-(3-ethoxypropyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-(2H-1,3-benzodioxol-5-yl)-N-(3-ethoxypropyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0065 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-N-(3-ethoxypropyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C25 H27 N3 O5 S |
| Smiles: | CCOCCCNC(C1c2c3ccccc3n(C)c2SCC(N1c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2011 |
| logD: | 3.2011 |
| logSw: | -3.3679 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.195 |
| InChI Key: | CZZMVFQHRKQEMH-QHCPKHFHSA-N |