N-(3,4-dimethoxyphenyl)-N'-(2-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-(3,4-dimethoxyphenyl)-N'-(2-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N-(3,4-dimethoxyphenyl)-N'-(2-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | G786-0804 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-N'-(2-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 435.53 |
| Molecular Formula: | C24 H29 N5 O3 |
| Smiles: | Cc1ccccc1NC(N(Cc1nnc2CCCCCn12)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1928 |
| logD: | 3.1928 |
| logSw: | -3.2011 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.245 |
| InChI Key: | CEZXJZKBTVKHRE-UHFFFAOYSA-N |