N-(4-fluorophenyl)-N'-(3-methylphenyl)-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-fluorophenyl)-N'-(3-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N-(4-fluorophenyl)-N'-(3-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | G786-0750 |
| Compound Name: | N-(4-fluorophenyl)-N'-(3-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C22 H24 F N5 O |
| Smiles: | Cc1cccc(c1)NC(N(Cc1nnc2CCCCCn12)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7583 |
| logD: | 3.7583 |
| logSw: | -3.7738 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.682 |
| InChI Key: | KCQXIHVRWPAWBT-UHFFFAOYSA-N |