methyl 2-(5-{[(2-methoxyphenyl)methyl]carbamoyl}-10-methyl-3-oxo-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl)benzoate
Chemical Structure Depiction of
methyl 2-(5-{[(2-methoxyphenyl)methyl]carbamoyl}-10-methyl-3-oxo-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl)benzoate
methyl 2-(5-{[(2-methoxyphenyl)methyl]carbamoyl}-10-methyl-3-oxo-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl)benzoate
Compound characteristics
| Compound ID: | G202-0334 |
| Compound Name: | methyl 2-(5-{[(2-methoxyphenyl)methyl]carbamoyl}-10-methyl-3-oxo-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl)benzoate |
| Molecular Weight: | 529.61 |
| Molecular Formula: | C29 H27 N3 O5 S |
| Smiles: | Cn1c2c(C(C(NCc3ccccc3OC)=O)N(C(CS2)=O)c2ccccc2C(=O)OC)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1654 |
| logD: | 4.1654 |
| logSw: | -4.3059 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.493 |
| InChI Key: | MLPIQRHDXBFSBJ-SANMLTNESA-N |