4-(3,5-dimethylphenyl)-10-methyl-3-oxo-N-{3-[(propan-2-yl)oxy]propyl}-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
4-(3,5-dimethylphenyl)-10-methyl-3-oxo-N-{3-[(propan-2-yl)oxy]propyl}-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-(3,5-dimethylphenyl)-10-methyl-3-oxo-N-{3-[(propan-2-yl)oxy]propyl}-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0466 |
| Compound Name: | 4-(3,5-dimethylphenyl)-10-methyl-3-oxo-N-{3-[(propan-2-yl)oxy]propyl}-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: | CC(C)OCCCNC(C1c2c3ccccc3n(C)c2SCC(N1c1cc(C)cc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.475 |
| logD: | 4.475 |
| logSw: | -4.2594 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.303 |
| InChI Key: | PODHNTMBSWIXHQ-VWLOTQADSA-N |