methyl [2-(azepan-1-yl)-3,5-dibromopyridin-4-yl]carbamate
Chemical Structure Depiction of
methyl [2-(azepan-1-yl)-3,5-dibromopyridin-4-yl]carbamate
methyl [2-(azepan-1-yl)-3,5-dibromopyridin-4-yl]carbamate
Compound characteristics
| Compound ID: | F170-0083 |
| Compound Name: | methyl [2-(azepan-1-yl)-3,5-dibromopyridin-4-yl]carbamate |
| Molecular Weight: | 407.1 |
| Molecular Formula: | C13 H17 Br2 N3 O2 |
| Smiles: | COC(Nc1c(cnc(c1[Br])N1CCCCCC1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8401 |
| logD: | 3.5709 |
| logSw: | -3.9672 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.561 |
| InChI Key: | LJLJXYUHEVODNJ-UHFFFAOYSA-N |