N'-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-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-chlorophenyl)-N-(2,5-dimethoxyphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N'-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | G786-0771 |
| Compound Name: | N'-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 455.94 |
| Molecular Formula: | C23 H26 Cl N5 O3 |
| Smiles: | COc1ccc(c(c1)N(Cc1nnc2CCCCCn12)C(Nc1ccc(cc1)[Cl])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1173 |
| logD: | 4.1173 |
| logSw: | -4.6031 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.555 |
| InChI Key: | XKZSIZTUWUSZIU-UHFFFAOYSA-N |