4-(2H-1,3-benzodioxol-5-yl)-10-methyl-N-(3-methylbutyl)-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)-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-(2H-1,3-benzodioxol-5-yl)-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0174 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Smiles: | CC(C)CCNC(C1c2c3ccccc3n(C)c2SCC(N1c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2315 |
| logD: | 4.2315 |
| logSw: | -4.2032 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.218 |
| InChI Key: | MTYRPLUHMJIPCE-QHCPKHFHSA-N |