4-(4-chloro-2-methylphenyl)-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-(4-chloro-2-methylphenyl)-N-(3-ethoxypropyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-(4-chloro-2-methylphenyl)-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: | G202-0067 |
| Compound Name: | 4-(4-chloro-2-methylphenyl)-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(N1c1ccc(cc1C)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7944 |
| logD: | 4.7944 |
| logSw: | -4.796 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.779 |
| InChI Key: | OPOBRNRCQBLTQO-HSZRJFAPSA-N |