1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
| Compound ID: | 6391-0388 |
| Compound Name: | 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
| Molecular Weight: | 500.33 |
| Molecular Formula: | C21 H14 Br N3 O5 S |
| Smiles: | Cc1nnc(N2C(C3=C(C2=O)Oc2ccccc2C3=O)c2cc(c(c(c2)[Br])O)OC)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9907 |
| logD: | 2.9495 |
| logSw: | -3.3841 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.356 |
| InChI Key: | FNFVXIWJINLXGO-MRXNPFEDSA-N |