N-(3,5-dimethylphenyl)-N'-phenyl-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-N'-phenyl-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N-(3,5-dimethylphenyl)-N'-phenyl-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | G786-0661 |
| Compound Name: | N-(3,5-dimethylphenyl)-N'-phenyl-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 389.5 |
| Molecular Formula: | C23 H27 N5 O |
| Smiles: | Cc1cc(C)cc(c1)N(Cc1nnc2CCCCCn12)C(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1634 |
| logD: | 4.1634 |
| logSw: | -4.1273 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.682 |
| InChI Key: | WWLIOWWOXNQLJT-UHFFFAOYSA-N |