7-({4-[(propan-2-yl)oxy]phenyl}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-[(propan-2-yl)oxy]phenyl}methyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-({4-[(propan-2-yl)oxy]phenyl}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: | S636-0358 |
| Compound Name: | 7-({4-[(propan-2-yl)oxy]phenyl}methyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 302.37 |
| Molecular Formula: | C16 H22 N4 O2 |
| Smiles: | CC(C)Oc1ccc(CN2CCC3=NNC(N3CC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1497 |
| logD: | 1.7986 |
| logSw: | -2.5543 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.46 |
| InChI Key: | QBHXRMFLNLFJNG-UHFFFAOYSA-N |