2-butyl-4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Chemical Structure Depiction of
2-butyl-4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
2-butyl-4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | V002-4694 |
| Compound Name: | 2-butyl-4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine |
| Molecular Weight: | 550.1 |
| Molecular Formula: | C24 H28 Cl N5 O4 S2 |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c3CCCCc3sc2n1)N1CCN(CC1)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6664 |
| logD: | 6.0547 |
| logSw: | -6.5135 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.81 |
| InChI Key: | IOHOTFAAMJBRES-UHFFFAOYSA-N |