10-methyl-N-(3-methylbutyl)-3-oxo-4-[(thiophen-2-yl)methyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
10-methyl-N-(3-methylbutyl)-3-oxo-4-[(thiophen-2-yl)methyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
10-methyl-N-(3-methylbutyl)-3-oxo-4-[(thiophen-2-yl)methyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0135 |
| Compound Name: | 10-methyl-N-(3-methylbutyl)-3-oxo-4-[(thiophen-2-yl)methyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 441.61 |
| Molecular Formula: | C23 H27 N3 O2 S2 |
| Smiles: | CC(C)CCNC(C1c2c3ccccc3n(C)c2SCC(N1Cc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.311 |
| logD: | 4.311 |
| logSw: | -4.045 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.732 |
| InChI Key: | ZCEQBQRWQQBLFL-NRFANRHFSA-N |