2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]acetamide
Chemical Structure Depiction of
2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]acetamide
2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | S638-4334 |
| Compound Name: | 2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]acetamide |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C18 H23 N7 O2 |
| Smiles: | C1CC2=NN(CC(NCCc3nc4ccccc4[nH]3)=O)C(N2CCC1N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.027 |
| logD: | -4.0198 |
| logSw: | -1.8261 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 97.885 |
| InChI Key: | IHLBZFGTJFVULP-GFCCVEGCSA-N |