N-(2,2-dimethoxyethyl)-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(2,2-dimethoxyethyl)-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2,2-dimethoxyethyl)-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1201 |
| Compound Name: | N-(2,2-dimethoxyethyl)-10-[(2,5-dimethylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 476.59 |
| Molecular Formula: | C27 H28 N2 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3Sc3ccc(cc23)C(NCC(OC)OC)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.939 |
| logD: | 4.939 |
| logSw: | -4.4732 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.58 |
| InChI Key: | KVWHPHLSGXRYPB-UHFFFAOYSA-N |