4-[(2-chlorophenyl)methyl]-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-chlorophenyl)methyl]-N-(3-ethoxypropyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-[(2-chlorophenyl)methyl]-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: | G202-0046 |
| Compound Name: | 4-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 486.03 |
| Molecular Formula: | C25 H28 Cl N3 O3 S |
| Smiles: | CCOCCCNC(C1c2c3ccccc3n(C)c2SCC(N1Cc1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1289 |
| logD: | 4.1289 |
| logSw: | -4.2175 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.691 |
| InChI Key: | UYQBZLLJEPDULM-HSZRJFAPSA-N |