3,4-dichloro-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline
Chemical Structure Depiction of
3,4-dichloro-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline
3,4-dichloro-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline
Compound characteristics
| Compound ID: | 8017-1287 |
| Compound Name: | 3,4-dichloro-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline |
| Molecular Weight: | 311.21 |
| Molecular Formula: | C14 H16 Cl2 N4 |
| Smiles: | C1CCc2nnc(CNc3ccc(c(c3)[Cl])[Cl])n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.302 |
| logD: | 3.3019 |
| logSw: | -3.5802 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.745 |
| InChI Key: | KHTMGWLXJSVXMW-UHFFFAOYSA-N |