N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-N'-{[4-(trifluoromethoxy)phenyl]methyl}urea
Chemical Structure Depiction of
N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-N'-{[4-(trifluoromethoxy)phenyl]methyl}urea
N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-N'-{[4-(trifluoromethoxy)phenyl]methyl}urea
Compound characteristics
| Compound ID: | S638-0315 |
| Compound Name: | N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-N'-{[4-(trifluoromethoxy)phenyl]methyl}urea |
| Molecular Weight: | 385.34 |
| Molecular Formula: | C16 H18 F3 N5 O3 |
| Smiles: | C1CC2=NNC(N2CCC1NC(NCc1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3125 |
| logD: | 2.306 |
| logSw: | -2.6801 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.534 |
| InChI Key: | GNUCOTQFSFKZFB-NSHDSACASA-N |