4-[(2-ethoxyphenyl)methyl]-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-[(2-ethoxyphenyl)methyl]-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-[(2-ethoxyphenyl)methyl]-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: | G202-0141 |
| Compound Name: | 4-[(2-ethoxyphenyl)methyl]-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 479.64 |
| Molecular Formula: | C27 H33 N3 O3 S |
| Smiles: | CCOc1ccccc1CN1C(C(NCCC(C)C)=O)c2c3ccccc3n(C)c2SCC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0156 |
| logD: | 5.0156 |
| logSw: | -4.6025 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.924 |
| InChI Key: | LXKQNVRNLHVQAS-VWLOTQADSA-N |