N-(3-ethoxypropyl)-10-methyl-3-oxo-4-[4-(propan-2-yl)phenyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
N-(3-ethoxypropyl)-10-methyl-3-oxo-4-[4-(propan-2-yl)phenyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
N-(3-ethoxypropyl)-10-methyl-3-oxo-4-[4-(propan-2-yl)phenyl]-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0026 |
| Compound Name: | N-(3-ethoxypropyl)-10-methyl-3-oxo-4-[4-(propan-2-yl)phenyl]-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: | CCOCCCNC(C1c2c3ccccc3n(C)c2SCC(N1c1ccc(cc1)C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5682 |
| logD: | 4.5682 |
| logSw: | -4.2094 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.08 |
| InChI Key: | BPMDHCNNOCIPAE-VWLOTQADSA-N |