7-({4-methoxy-3-[(2-methyl-1H-imidazol-1-yl)methyl]phenyl}methyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-({4-methoxy-3-[(2-methyl-1H-imidazol-1-yl)methyl]phenyl}methyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-({4-methoxy-3-[(2-methyl-1H-imidazol-1-yl)methyl]phenyl}methyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0889 |
| Compound Name: | 7-({4-methoxy-3-[(2-methyl-1H-imidazol-1-yl)methyl]phenyl}methyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C20 H26 N6 O2 |
| Smiles: | Cc1nccn1Cc1cc(CN2CCC3=NN(C)C(N3CC2)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.1659 |
| logD: | 0.0767 |
| logSw: | -1.865 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.924 |
| InChI Key: | WDSJVWJAVZYYPY-UHFFFAOYSA-N |