4-(3-acetylphenyl)-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
4-(3-acetylphenyl)-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-(3-acetylphenyl)-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0367 |
| Compound Name: | 4-(3-acetylphenyl)-N-[(2-methoxyphenyl)methyl]-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 513.62 |
| Molecular Formula: | C29 H27 N3 O4 S |
| Smiles: | CC(c1cccc(c1)N1C(C(NCc2ccccc2OC)=O)c2c3ccccc3n(C)c2SCC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7847 |
| logD: | 3.7847 |
| logSw: | -4.0903 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.446 |
| InChI Key: | BEDGTOZLONBYGQ-MHZLTWQESA-N |