N-[(4-fluorophenyl)methyl]-N'-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N'-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea
N-[(4-fluorophenyl)methyl]-N'-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea
Compound characteristics
| Compound ID: | S638-0298 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-N'-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)urea |
| Molecular Weight: | 319.34 |
| Molecular Formula: | C15 H18 F N5 O2 |
| Smiles: | C1CC2=NNC(N2CCC1NC(NCc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1503 |
| logD: | 1.1438 |
| logSw: | -1.8652 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.598 |
| InChI Key: | HTUKJWMSRYMDKS-LBPRGKRZSA-N |