7-[(cyclohex-1-en-1-yl)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-[(cyclohex-1-en-1-yl)acetyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(cyclohex-1-en-1-yl)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: | S636-5006 |
| Compound Name: | 7-[(cyclohex-1-en-1-yl)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: | 290.36 |
| Molecular Formula: | C15 H22 N4 O2 |
| Smiles: | CN1C(N2CCN(CCC2=N1)C(CC1CCCCC=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3504 |
| logD: | 1.3504 |
| logSw: | -1.3781 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.587 |
| InChI Key: | LMGYUFDKNQZEJF-UHFFFAOYSA-N |