N-(2,2-diethoxyethyl)-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(2,2-diethoxyethyl)-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2,2-diethoxyethyl)-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1363 |
| Compound Name: | N-(2,2-diethoxyethyl)-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 536.65 |
| Molecular Formula: | C29 H32 N2 O6 S |
| Smiles: | CCOC(CNC(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2(=O)=O)=O)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.1483 |
| logD: | 4.1483 |
| logSw: | -4.2083 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.72 |
| InChI Key: | HQQJYYPHQUQQAX-UHFFFAOYSA-N |