ethyl 3-[4-(2,3,4,5,6-pentamethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(2,3,4,5,6-pentamethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 3-[4-(2,3,4,5,6-pentamethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V001-5894 |
| Compound Name: | ethyl 3-[4-(2,3,4,5,6-pentamethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 510.66 |
| Molecular Formula: | C27 H34 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2ccccc2n1)N1CCCN(CC1)S(c1c(C)c(C)c(C)c(C)c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9927 |
| logD: | 5.9927 |
| logSw: | -5.4767 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.931 |
| InChI Key: | ZOPVQZNZMINNPZ-UHFFFAOYSA-N |