7-({3-[(1H-imidazol-1-yl)methyl]-4-methoxyphenyl}methyl)-2-(2-methylpropyl)-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-({3-[(1H-imidazol-1-yl)methyl]-4-methoxyphenyl}methyl)-2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-({3-[(1H-imidazol-1-yl)methyl]-4-methoxyphenyl}methyl)-2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | CM4193-3868 |
| Compound Name: | 7-({3-[(1H-imidazol-1-yl)methyl]-4-methoxyphenyl}methyl)-2-(2-methylpropyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C22 H30 N6 O2 |
| Smiles: | CC(C)CN1C(N2CCN(CCC2=N1)Cc1ccc(c(Cn2ccnc2)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.44 |
| logD: | 1.3507 |
| logSw: | -2.4658 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.509 |
| InChI Key: | VXLTVNWNQMBPEU-UHFFFAOYSA-N |