4-(2,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
4-(2,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-(2,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0024 |
| Compound Name: | 4-(2,5-dimethoxyphenyl)-N-(3-ethoxypropyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 497.61 |
| Molecular Formula: | C26 H31 N3 O5 S |
| Smiles: | CCOCCCNC(C1c2c3ccccc3n(C)c2SCC(N1c1cc(ccc1OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4323 |
| logD: | 3.4323 |
| logSw: | -3.9172 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.953 |
| InChI Key: | XWNKYEYJRPQVMO-DEOSSOPVSA-N |