2-(cyclopropylmethyl)-7-(2-hydroxy-6-methylpyridine-3-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-(2-hydroxy-6-methylpyridine-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-(2-hydroxy-6-methylpyridine-3-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: | S636-5595 |
| Compound Name: | 2-(cyclopropylmethyl)-7-(2-hydroxy-6-methylpyridine-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C17 H21 N5 O3 |
| Smiles: | Cc1ccc(C(N2CCC3=NN(CC4CC4)C(N3CC2)=O)=O)c(n1)O |
| Stereo: | ACHIRAL |
| logP: | 1.0193 |
| logD: | 1.0085 |
| logSw: | -2.2843 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.878 |
| InChI Key: | LQWNMHZKBRNWAS-UHFFFAOYSA-N |