ethyl 3-[4-(2,5-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(2,5-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 3-[4-(2,5-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V003-0417 |
| Compound Name: | ethyl 3-[4-(2,5-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 500.57 |
| Molecular Formula: | C24 H28 N4 O6 S |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2ccccc2n1)N1CCCN(CC1)S(c1cc(ccc1OC)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7402 |
| logD: | 3.7402 |
| logSw: | -3.9335 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.105 |
| InChI Key: | ZJBOMPDJFRNOTO-UHFFFAOYSA-N |