N-(2,2-dimethoxyethyl)-10-[(4-fluorophenyl)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-dimethoxyethyl)-10-[(4-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2,2-dimethoxyethyl)-10-[(4-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1254 |
| Compound Name: | N-(2,2-dimethoxyethyl)-10-[(4-fluorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 498.53 |
| Molecular Formula: | C25 H23 F N2 O6 S |
| Smiles: | COC(CNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2(=O)=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3125 |
| logD: | 2.3125 |
| logSw: | -3.1238 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.56 |
| InChI Key: | GMSYJJUABMUPQC-UHFFFAOYSA-N |