4-(3-ethylphenyl)-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-(3-ethylphenyl)-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-(3-ethylphenyl)-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: | G202-0143 |
| Compound Name: | 4-(3-ethylphenyl)-10-methyl-N-(3-methylbutyl)-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 449.61 |
| Molecular Formula: | C26 H31 N3 O2 S |
| Smiles: | CCc1cccc(c1)N1C(C(NCCC(C)C)=O)c2c3ccccc3n(C)c2SCC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1646 |
| logD: | 5.1646 |
| logSw: | -5.1761 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.102 |
| InChI Key: | ZCRPUQIWWYOOLI-DEOSSOPVSA-N |