1-(3-nitrophenyl)-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
1-(3-nitrophenyl)-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
1-(3-nitrophenyl)-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | 6391-0417 |
| Compound Name: | 1-(3-nitrophenyl)-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 448.46 |
| Molecular Formula: | C22 H16 N4 O5 S |
| Smiles: | CC(C)c1nnc(N2C(C3=C(C2=O)Oc2ccccc2C3=O)c2cccc(c2)[N+]([O-])=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0753 |
| logD: | 4.0752 |
| logSw: | -4.446 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 92.822 |
| InChI Key: | WMEYHKJCGAXQRH-QGZVFWFLSA-N |