N'-(2-chlorophenyl)-N-(4-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Chemical Structure Depiction of
N'-(2-chlorophenyl)-N-(4-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N'-(2-chlorophenyl)-N-(4-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | G786-0700 |
| Compound Name: | N'-(2-chlorophenyl)-N-(4-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 409.92 |
| Molecular Formula: | C22 H24 Cl N5 O |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc2CCCCCn12)C(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2395 |
| logD: | 4.2395 |
| logSw: | -4.273 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.984 |
| InChI Key: | CTRVYIBKMSOAOB-UHFFFAOYSA-N |