6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(4-nitrophenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(4-nitrophenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(4-nitrophenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | Y070-4832 |
| Compound Name: | 6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(4-nitrophenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 490.54 |
| Molecular Formula: | C25 H22 N4 O5 S |
| Smiles: | CC(C)Cc1nnc(N2C(C3=C(C2=O)Oc2cc(C)c(C)cc2C3=O)c2ccc(cc2)[N+]([O-])=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.715 |
| logD: | 5.7149 |
| logSw: | -5.5373 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.317 |
| InChI Key: | ZKKHYCUDIKDZHV-OAQYLSRUSA-N |