2-(cyclopropylmethyl)-7-(1-methyl-1H-imidazole-4-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-(cyclopropylmethyl)-7-(1-methyl-1H-imidazole-4-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-(1-methyl-1H-imidazole-4-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: | S636-1631 |
| Compound Name: | 2-(cyclopropylmethyl)-7-(1-methyl-1H-imidazole-4-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 316.36 |
| Molecular Formula: | C15 H20 N6 O2 |
| Smiles: | Cn1cc(C(N2CCC3=NN(CC4CC4)C(N3CC2)=O)=O)nc1 |
| Stereo: | ACHIRAL |
| logP: | 0.2432 |
| logD: | 0.2423 |
| logSw: | -0.7386 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.132 |
| InChI Key: | DPAHPEOZJXXQML-UHFFFAOYSA-N |