N'-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-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-chlorophenyl)-N-(2,3-dimethylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N'-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | 8013-2910 |
| Compound Name: | N'-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 423.94 |
| Molecular Formula: | C23 H26 Cl N5 O |
| Smiles: | Cc1cccc(c1C)N(Cc1nnc2CCCCCn12)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8563 |
| logD: | 4.8563 |
| logSw: | -4.7101 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.381 |
| InChI Key: | HKCHESQUVNHKFA-UHFFFAOYSA-N |