ethyl 3-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-6,7-dichloroquinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-6,7-dichloroquinoxaline-2-carboxylate
ethyl 3-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-6,7-dichloroquinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V006-0226 |
| Compound Name: | ethyl 3-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-6,7-dichloroquinoxaline-2-carboxylate |
| Molecular Weight: | 517.37 |
| Molecular Formula: | C24 H22 Cl2 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2cc(c(cc2n1)[Cl])[Cl])N1CCCN(CC1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.934 |
| logD: | 4.934 |
| logSw: | -5.1259 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.984 |
| InChI Key: | AQIRRXZOXWMRPA-UHFFFAOYSA-N |