2-benzyl-4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine
Chemical Structure Depiction of
2-benzyl-4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine
2-benzyl-4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | V008-8121 |
| Compound Name: | 2-benzyl-4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine |
| Molecular Weight: | 613.16 |
| Molecular Formula: | C28 H29 Cl N6 O4 S2 |
| Salt: | not_available |
| Smiles: | CCN1CCc2c3c(nc(Cc4ccccc4)nc3sc2C1)N1CCN(CC1)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0013 |
| logD: | 5.9239 |
| logSw: | -6.1926 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.009 |
| InChI Key: | ZGAFJVOIZYSQGV-UHFFFAOYSA-N |