ethyl 6,7-dichloro-3-[4-(3-methylbut-2-enoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 6,7-dichloro-3-[4-(3-methylbut-2-enoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 6,7-dichloro-3-[4-(3-methylbut-2-enoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V018-9925 |
| Compound Name: | ethyl 6,7-dichloro-3-[4-(3-methylbut-2-enoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 451.35 |
| Molecular Formula: | C21 H24 Cl2 N4 O3 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2cc(c(cc2n1)[Cl])[Cl])N1CCCN(CC1)C(C=C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9637 |
| logD: | 4.9636 |
| logSw: | -4.9927 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.612 |
| InChI Key: | VQVVLROZCXECEM-UHFFFAOYSA-N |