N'-(4-methoxyphenyl)-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-methoxyphenyl)-N-(3-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N'-(4-methoxyphenyl)-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: | G786-0727 |
| Compound Name: | N'-(4-methoxyphenyl)-N-(3-methylphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C23 H27 N5 O2 |
| Smiles: | Cc1cccc(c1)N(Cc1nnc2CCCCCn12)C(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8251 |
| logD: | 3.825 |
| logSw: | -3.9066 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.226 |
| InChI Key: | VUXPLOVAMHACPA-UHFFFAOYSA-N |