N'-(3,4-dichlorophenyl)-N-(4-ethylphenyl)-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-ethylphenyl)-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-ethylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | 8017-1289 |
| Compound Name: | N'-(3,4-dichlorophenyl)-N-(4-ethylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 458.39 |
| Molecular Formula: | C23 H25 Cl2 N5 O |
| Smiles: | CCc1ccc(cc1)N(Cc1nnc2CCCCCn12)C(Nc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7743 |
| logD: | 5.7736 |
| logSw: | -5.9309 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.682 |
| InChI Key: | KXQRYANSDSBPKG-UHFFFAOYSA-N |