N-(2-cyanoethyl)-10-[(2-fluorophenyl)methyl]-N-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-cyanoethyl)-10-[(2-fluorophenyl)methyl]-N-methyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2-cyanoethyl)-10-[(2-fluorophenyl)methyl]-N-methyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1064 |
| Compound Name: | N-(2-cyanoethyl)-10-[(2-fluorophenyl)methyl]-N-methyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 477.51 |
| Molecular Formula: | C25 H20 F N3 O4 S |
| Smiles: | CN(CCC#N)C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3853 |
| logD: | 2.3853 |
| logSw: | -3.0604 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.273 |
| InChI Key: | NEBCQLVGDWRKPF-UHFFFAOYSA-N |