N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-1H-benzimidazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-1H-benzimidazole-5-carboxamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-1H-benzimidazole-5-carboxamide
Compound characteristics
| Compound ID: | S638-0891 |
| Compound Name: | N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-1H-benzimidazole-5-carboxamide |
| Molecular Weight: | 366.42 |
| Molecular Formula: | C19 H22 N6 O2 |
| Smiles: | C1CC2=NN(CC3CC3)C(N2CCC1NC(c1ccc2c(c1)nc[nH]2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.636 |
| logD: | 1.63 |
| logSw: | -2.1355 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.515 |
| InChI Key: | HGMWAUSRHYHQSU-CQSZACIVSA-N |