10-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0990 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 514.98 |
| Molecular Formula: | C25 H23 Cl N2 O6 S |
| Smiles: | COC(CNC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8781 |
| logD: | 2.8781 |
| logSw: | -3.8357 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.56 |
| InChI Key: | AKUDQHPCYHUPAW-UHFFFAOYSA-N |