N-[(2-methoxyphenyl)methyl]-10-methyl-4-[3-(methylsulfanyl)phenyl]-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-10-methyl-4-[3-(methylsulfanyl)phenyl]-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
N-[(2-methoxyphenyl)methyl]-10-methyl-4-[3-(methylsulfanyl)phenyl]-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0355 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-10-methyl-4-[3-(methylsulfanyl)phenyl]-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 517.67 |
| Molecular Formula: | C28 H27 N3 O3 S2 |
| Smiles: | Cn1c2c(C(C(NCc3ccccc3OC)=O)N(C(CS2)=O)c2cccc(c2)SC)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6587 |
| logD: | 4.6587 |
| logSw: | -4.5304 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.62 |
| InChI Key: | ZDUCNLYMMIQMNE-SANMLTNESA-N |