2-phenyl-3-[4-(2,4,5-trichlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline
Chemical Structure Depiction of
2-phenyl-3-[4-(2,4,5-trichlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline
2-phenyl-3-[4-(2,4,5-trichlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline
Compound characteristics
| Compound ID: | V003-0453 |
| Compound Name: | 2-phenyl-3-[4-(2,4,5-trichlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline |
| Molecular Weight: | 547.89 |
| Molecular Formula: | C25 H21 Cl3 N4 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)S(c1cc(c(cc1[Cl])[Cl])[Cl])(=O)=O)c1c(c2ccccc2)nc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.584 |
| logD: | 6.5838 |
| logSw: | -6.5745 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.906 |
| InChI Key: | DJCOJBOSJZGMMW-UHFFFAOYSA-N |