N-(4-{(3-chlorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]carbamamido}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{(3-chlorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]carbamamido}phenyl)acetamide
N-(4-{(3-chlorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]carbamamido}phenyl)acetamide
Compound characteristics
| Compound ID: | G786-0782 |
| Compound Name: | N-(4-{(3-chlorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]carbamamido}phenyl)acetamide |
| Molecular Weight: | 452.94 |
| Molecular Formula: | C23 H25 Cl N6 O2 |
| Smiles: | CC(Nc1ccc(cc1)N(Cc1nnc2CCCCCn12)C(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3241 |
| logD: | 3.3241 |
| logSw: | -3.7056 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.944 |
| InChI Key: | FDUBLSHRILXZEP-UHFFFAOYSA-N |