N-(2,2-dimethoxyethyl)-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(2,2-dimethoxyethyl)-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2,2-dimethoxyethyl)-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
Compound ID: | C529-0990 |
Compound Name: | N-(2,2-dimethoxyethyl)-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
Molecular Weight: | 492.59 |
Molecular Formula: | C27 H28 N2 O5 S |
Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(NCC(OC)OC)=O)=O)=O)c1 |
Stereo: | ACHIRAL |
logP: | 3.1998 |
logD: | 3.1998 |
logSw: | -3.6705 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.964 |
InChI Key: | QKLNJUJVKIUBNA-UHFFFAOYSA-N |