ethyl 3-[4-(4-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(4-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 3-[4-(4-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V001-5871 |
| Compound Name: | ethyl 3-[4-(4-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C26 H32 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)S(N1CCCN(CC1)c1c(C(=O)OCC)nc2ccccc2n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8887 |
| logD: | 5.8887 |
| logSw: | -5.4242 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.931 |
| InChI Key: | RWYYWLXQPLDPST-UHFFFAOYSA-N |