2-[(3-methylphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-[(3-methylphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-[(3-methylphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S336-0171 |
| Compound Name: | 2-[(3-methylphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 257.33 |
| Molecular Formula: | C15 H19 N3 O |
| Smiles: | Cc1cccc(CN2C(N3CCCCCC3=N2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3121 |
| logD: | 3.312 |
| logSw: | -3.3291 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 33.516 |
| InChI Key: | RFKMHPYKGPSSBP-UHFFFAOYSA-N |