4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-5,6-dimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidine
Chemical Structure Depiction of
4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-5,6-dimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidine
4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-5,6-dimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidine
Compound characteristics
Compound ID: | V008-3375 |
Compound Name: | 4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-5,6-dimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidine |
Molecular Weight: | 572.1 |
Molecular Formula: | C26 H26 Cl N5 O4 S2 |
Salt: | not_available |
Smiles: | Cc1c2c(nc(CCc3ccccc3)nc2sc1C)N1CCN(CC1)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O |
Stereo: | ACHIRAL |
logP: | 6.8253 |
logD: | 5.9889 |
logSw: | -6.4751 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 88.618 |
InChI Key: | DZOIDKDLBRHKKQ-UHFFFAOYSA-N |