10-benzyl-N-(2,2-dimethoxyethyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-benzyl-N-(2,2-dimethoxyethyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-benzyl-N-(2,2-dimethoxyethyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1518 |
| Compound Name: | 10-benzyl-N-(2,2-dimethoxyethyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C25 H24 N2 O5 S |
| Smiles: | COC(CNC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.1538 |
| logD: | 2.1538 |
| logSw: | -3.1724 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.964 |
| InChI Key: | INHGMCVKRGZEKT-UHFFFAOYSA-N |