N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N'-[(4-fluorophenyl)methyl]urea
Chemical Structure Depiction of
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N'-[(4-fluorophenyl)methyl]urea
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N'-[(4-fluorophenyl)methyl]urea
Compound characteristics
| Compound ID: | S638-1000 |
| Compound Name: | N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N'-[(4-fluorophenyl)methyl]urea |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C19 H24 F N5 O2 |
| Smiles: | C1CC2=NN(CC3CC3)C(N2CCC1NC(NCc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.115 |
| logD: | 2.109 |
| logSw: | -2.5069 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.519 |
| InChI Key: | OUJKVRNEYJBSAN-INIZCTEOSA-N |