7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | Y070-5054 |
| Compound Name: | 7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 476.51 |
| Molecular Formula: | C24 H20 N4 O5 S |
| Smiles: | CC(C)Cc1nnc(N2C(C3=C(C2=O)Oc2ccc(C)cc2C3=O)c2cccc(c2)[N+]([O-])=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9463 |
| logD: | 4.9463 |
| logSw: | -4.7417 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.317 |
| InChI Key: | IVPIOAAJZGYLQR-HXUWFJFHSA-N |