N-(4-methylphenyl)-N'-phenyl-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Chemical Structure Depiction of
N-(4-methylphenyl)-N'-phenyl-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N-(4-methylphenyl)-N'-phenyl-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | 8012-7275 |
| Compound Name: | N-(4-methylphenyl)-N'-phenyl-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C22 H25 N5 O |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc2CCCCCn12)C(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.601 |
| logD: | 3.601 |
| logSw: | -3.5434 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.682 |
| InChI Key: | FQGPGOSZPWUMMZ-UHFFFAOYSA-N |