N-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-N'-(3-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N-(2H-1,3-benzodioxol-5-yl)-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: | G786-0786 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N'-(3-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H25 N5 O3 |
| Smiles: | Cc1cccc(c1)NC(N(Cc1nnc2CCCCCn12)c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6601 |
| logD: | 3.6601 |
| logSw: | -3.6504 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.798 |
| InChI Key: | ZNBNJOQOBSACTF-UHFFFAOYSA-N |