N-(2H-1,3-benzodioxol-5-yl)-N'-(4-chlorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N'-(4-chlorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N-(2H-1,3-benzodioxol-5-yl)-N'-(4-chlorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | G786-0791 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N'-(4-chlorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 439.9 |
| Molecular Formula: | C22 H22 Cl N5 O3 |
| Smiles: | C1CCc2nnc(CN(C(Nc3ccc(cc3)[Cl])=O)c3ccc4c(c3)OCO4)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.8948 |
| logD: | 3.8948 |
| logSw: | -4.4604 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.798 |
| InChI Key: | KQLYZDBDOLPSEY-UHFFFAOYSA-N |