{7-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl}acetonitrile
Chemical Structure Depiction of
{7-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl}acetonitrile
{7-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl}acetonitrile
Compound characteristics
| Compound ID: | S636-2680 |
| Compound Name: | {7-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl}acetonitrile |
| Molecular Weight: | 372.43 |
| Molecular Formula: | C18 H24 N6 O3 |
| Smiles: | Cc1cc(C(N2CCC3=NN(CC#N)C(N3CC2)=O)=O)c(C)n1CCOC |
| Stereo: | ACHIRAL |
| logP: | 0.08 |
| logD: | 0.08 |
| logSw: | -1.2542 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 78.228 |
| InChI Key: | OGVKAQPYYFLPTI-UHFFFAOYSA-N |