1-(4-bromothiophen-2-yl)-N-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)methanimine
Chemical Structure Depiction of
1-(4-bromothiophen-2-yl)-N-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)methanimine
1-(4-bromothiophen-2-yl)-N-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)methanimine
Compound characteristics
| Compound ID: | K066-0034 |
| Compound Name: | 1-(4-bromothiophen-2-yl)-N-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)methanimine |
| Molecular Weight: | 412.3 |
| Molecular Formula: | C17 H18 Br N O4 S |
| Smiles: | C1COCCOc2cc(ccc2OCCO1)/N=C\c1cc(cs1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.754 |
| logD: | 2.7539 |
| logSw: | -2.9875 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.355 |
| InChI Key: | UTSTURAQVRMEQN-UHFFFAOYSA-N |