N-benzyl-4-(3,4-dimethoxyphenyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
N-benzyl-4-(3,4-dimethoxyphenyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
N-benzyl-4-(3,4-dimethoxyphenyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0224 |
| Compound Name: | N-benzyl-4-(3,4-dimethoxyphenyl)-10-methyl-3-oxo-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C28 H27 N3 O4 S |
| Smiles: | Cn1c2c(C(C(NCc3ccccc3)=O)N(C(CS2)=O)c2ccc(c(c2)OC)OC)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6668 |
| logD: | 3.6668 |
| logSw: | -4.0955 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.25 |
| InChI Key: | BKLXMXIDLYYNEQ-SANMLTNESA-N |