ethyl 4-{10-methyl-5-[(3-methylbutyl)carbamoyl]-3-oxo-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{10-methyl-5-[(3-methylbutyl)carbamoyl]-3-oxo-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl}benzoate
ethyl 4-{10-methyl-5-[(3-methylbutyl)carbamoyl]-3-oxo-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl}benzoate
Compound characteristics
| Compound ID: | G202-0156 |
| Compound Name: | ethyl 4-{10-methyl-5-[(3-methylbutyl)carbamoyl]-3-oxo-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl}benzoate |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(NCCC(C)C)=O)c2c3ccccc3n(C)c2SCC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8619 |
| logD: | 4.8619 |
| logSw: | -4.5608 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.856 |
| InChI Key: | ZQQBOGAVZTXJKP-DEOSSOPVSA-N |