4-(2-methyl-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-sulfonyl)benzonitrile
Chemical Structure Depiction of
4-(2-methyl-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-sulfonyl)benzonitrile
4-(2-methyl-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | S636-1059 |
| Compound Name: | 4-(2-methyl-3-oxo-2,3,5,6,8,9-hexahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-sulfonyl)benzonitrile |
| Molecular Weight: | 333.37 |
| Molecular Formula: | C14 H15 N5 O3 S |
| Smiles: | CN1C(N2CCN(CCC2=N1)S(c1ccc(C#N)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9111 |
| logD: | 0.9111 |
| logSw: | -2.1095 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.041 |
| InChI Key: | GRVVVZQNXJIOJK-UHFFFAOYSA-N |