2-benzyl-7-(1-methyl-1H-pyrrole-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-benzyl-7-(1-methyl-1H-pyrrole-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-(1-methyl-1H-pyrrole-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-3109 |
| Compound Name: | 2-benzyl-7-(1-methyl-1H-pyrrole-2-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 351.41 |
| Molecular Formula: | C19 H21 N5 O2 |
| Smiles: | Cn1cccc1C(N1CCC2=NN(Cc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4857 |
| logD: | 2.4857 |
| logSw: | -2.321 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.389 |
| InChI Key: | YUCVBANTLNSTLD-UHFFFAOYSA-N |