N'-(3-chlorophenyl)-N-(4-methoxyphenyl)-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-chlorophenyl)-N-(4-methoxyphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N'-(3-chlorophenyl)-N-(4-methoxyphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | 8012-9855 |
| Compound Name: | N'-(3-chlorophenyl)-N-(4-methoxyphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 425.92 |
| Molecular Formula: | C22 H24 Cl N5 O2 |
| Smiles: | COc1ccc(cc1)N(Cc1nnc2CCCCCn12)C(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1053 |
| logD: | 4.1053 |
| logSw: | -4.4366 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.226 |
| InChI Key: | XVVFAULNAMRMGI-UHFFFAOYSA-N |