7-({3-methoxy-4-[(propan-2-yl)oxy]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-({3-methoxy-4-[(propan-2-yl)oxy]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-({3-methoxy-4-[(propan-2-yl)oxy]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: | S636-0868 |
| Compound Name: | 7-({3-methoxy-4-[(propan-2-yl)oxy]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: | 346.43 |
| Molecular Formula: | C18 H26 N4 O3 |
| Smiles: | CC(C)Oc1ccc(CN2CCC3=NN(C)C(N3CC2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.7993 |
| logD: | -0.4618 |
| logSw: | -2.1921 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.527 |
| InChI Key: | SFLOGQCXPTZNDJ-UHFFFAOYSA-N |