7-[(4-chloro-2-methylphenoxy)acetyl]-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-chloro-2-methylphenoxy)acetyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(4-chloro-2-methylphenoxy)acetyl]-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: | S636-0676 |
| Compound Name: | 7-[(4-chloro-2-methylphenoxy)acetyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 350.8 |
| Molecular Formula: | C16 H19 Cl N4 O3 |
| Smiles: | Cc1cc(ccc1OCC(N1CCC2=NN(C)C(N2CC1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.1363 |
| logD: | 2.1363 |
| logSw: | -2.8646 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.981 |
| InChI Key: | WXQMYPJEBJLQPN-UHFFFAOYSA-N |