3-chloro-2-methyl-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline
Chemical Structure Depiction of
3-chloro-2-methyl-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline
3-chloro-2-methyl-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline
Compound characteristics
| Compound ID: | 8013-2354 |
| Compound Name: | 3-chloro-2-methyl-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline |
| Molecular Weight: | 290.79 |
| Molecular Formula: | C15 H19 Cl N4 |
| Smiles: | Cc1c(cccc1[Cl])NCc1nnc2CCCCCn12 |
| Stereo: | ACHIRAL |
| logP: | 3.0018 |
| logD: | 3.0017 |
| logSw: | -3.5066 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.047 |
| InChI Key: | DWBHCWFXVAPZHN-UHFFFAOYSA-N |