N-(2,2-dimethoxyethyl)-10-[(2-fluorophenyl)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-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2,2-dimethoxyethyl)-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0726 |
| Compound Name: | N-(2,2-dimethoxyethyl)-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 482.53 |
| Molecular Formula: | C25 H23 F N2 O5 S |
| Smiles: | COC(CNC(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2942 |
| logD: | 2.2942 |
| logSw: | -3.1892 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.964 |
| InChI Key: | AGRCPPBLXDQTAF-UHFFFAOYSA-N |