3-methoxy-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline
Chemical Structure Depiction of
3-methoxy-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline
3-methoxy-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline
Compound characteristics
| Compound ID: | 8018-1712 |
| Compound Name: | 3-methoxy-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline |
| Molecular Weight: | 272.35 |
| Molecular Formula: | C15 H20 N4 O |
| Smiles: | COc1cccc(c1)NCc1nnc2CCCCCn12 |
| Stereo: | ACHIRAL |
| logP: | 1.8941 |
| logD: | 1.894 |
| logSw: | -2.2369 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.289 |
| InChI Key: | KSGAOOFLLRQUFN-UHFFFAOYSA-N |