N'-(3-chlorophenyl)-N-(4-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'-(3-chlorophenyl)-N-(4-fluorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N'-(3-chlorophenyl)-N-(4-fluorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | 8013-2915 |
| Compound Name: | N'-(3-chlorophenyl)-N-(4-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(Nc3cccc(c3)[Cl])=O)c3ccc(cc3)F)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.152 |
| logD: | 4.1519 |
| logSw: | -4.3949 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.682 |
| InChI Key: | LIWFHCASZYTFLL-UHFFFAOYSA-N |