(9-methyl-4H-thieno[3,2-c][1]benzopyran-2-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(9-methyl-4H-thieno[3,2-c][1]benzopyran-2-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
(9-methyl-4H-thieno[3,2-c][1]benzopyran-2-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | C712-0046 |
| Compound Name: | (9-methyl-4H-thieno[3,2-c][1]benzopyran-2-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C23 H21 N3 O4 S |
| Smiles: | Cc1cccc2c1c1c(CO2)cc(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6258 |
| logD: | 4.6258 |
| logSw: | -4.6843 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.645 |
| InChI Key: | MKOMCNYROZCWQU-UHFFFAOYSA-N |