4-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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: | G202-0431 |
| Compound Name: | 4-(4-ethoxyphenyl)-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: | 495.64 |
| Molecular Formula: | C27 H33 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(C(NCCCOC(C)C)=O)c2c3ccccc3n(C)c2SCC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7693 |
| logD: | 3.7693 |
| logSw: | -3.8079 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.427 |
| InChI Key: | MLXMUJMYKPCRRO-VWLOTQADSA-N |