N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-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]-5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carboxamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | S638-0936 |
| 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]-5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 397.44 |
| Molecular Formula: | C19 H23 N7 O3 |
| Smiles: | C1CC2=NN(CC3CC3)C(N2CCC1NC(c1ccc(Cn2cncn2)o1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9994 |
| logD: | 0.9934 |
| logSw: | -1.75 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.804 |
| InChI Key: | WDUFUHUMGFBDMD-CQSZACIVSA-N |