N'-(3,4-dichlorophenyl)-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'-(3,4-dichlorophenyl)-N-(4-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N'-(3,4-dichlorophenyl)-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: | 8013-0054 |
| Compound Name: | N'-(3,4-dichlorophenyl)-N-(4-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 444.36 |
| Molecular Formula: | C22 H23 Cl2 N5 O |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc2CCCCCn12)C(Nc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.267 |
| logD: | 5.2664 |
| logSw: | -5.8112 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.682 |
| InChI Key: | MWKNJOGEZNECEE-UHFFFAOYSA-N |