1012S
N-(2-aminoethyl)-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide
Also Known As: Compound 1012S|1012S|J1.319.392D|N-(2-aminoethyl)-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide|4H-(1,2,4)Triazolo(1,5-a)(1,4)benzodiazepine-2-carboxamide, N-(2-aminoethyl)-8-chloro-6-(2-chlorophenyl)-|N-(2-aminoethyl)-12-chloro-9-(2-chlorophenyl)-2,3,5,8-tetraazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,8,10,12-hexaene-4-carboxamide|N-(2-Aminoethyl)-6-(2-chlorophenyl)-8-chloro-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide|N-(2-Aminoethyl)-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamidato(2-)
| Molecular Formula | C19H16Cl2N6O |
|---|---|
| Molecular Weight | 414.07626 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.07626 |
| Monoisotopic Mass | 414.07626 |
| Heavy Atoms | 28 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 95211-91-9 |
|---|---|
| SMILES | C1C2=NC(=NN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)C(=O)NCCN |
| InChIKey | CRZHRKFDJLUMRR-UHFFFAOYSA-N |
Product Overview
1012S (CAS 95211-91-9), with molecular formula C19H16Cl2N6O and molecular weight 414.07626 g/mol. IUPAC: N-(2-aminoethyl)-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide.