N'-(3-chlorophenyl)-N-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N'-(3-chlorophenyl)-N-(2-ethoxyphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | G786-0740 |
| Compound Name: | N'-(3-chlorophenyl)-N-(2-ethoxyphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 439.94 |
| Molecular Formula: | C23 H26 Cl N5 O2 |
| Smiles: | CCOc1ccccc1N(Cc1nnc2CCCCCn12)C(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3927 |
| logD: | 4.3927 |
| logSw: | -4.3427 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.592 |
| InChI Key: | FKSSNWFRLUBBPS-UHFFFAOYSA-N |