N'-(4-chlorophenyl)-N-(3-fluorophenyl)-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-(3-fluorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N'-(4-chlorophenyl)-N-(3-fluorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | G786-0683 |
| Compound Name: | N'-(4-chlorophenyl)-N-(3-fluorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 413.88 |
| Molecular Formula: | C21 H21 Cl F N5 O |
| Smiles: | C1CCc2nnc(CN(C(Nc3ccc(cc3)[Cl])=O)c3cccc(c3)F)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.0144 |
| logD: | 4.0144 |
| logSw: | -4.4636 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.682 |
| InChI Key: | KBCXYMYDJUSGGW-UHFFFAOYSA-N |