1-(4-hydroxy-3-methoxyphenyl)-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Chemical Structure Depiction of
1-(4-hydroxy-3-methoxyphenyl)-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
1-(4-hydroxy-3-methoxyphenyl)-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione
Compound characteristics
Compound ID: | Y070-5100 |
Compound Name: | 1-(4-hydroxy-3-methoxyphenyl)-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydro[1]benzopyrano[2,3-c]pyrrole-3,9-dione |
Molecular Weight: | 463.51 |
Molecular Formula: | C24 H21 N3 O5 S |
Smiles: | CC(C)Cc1nnc(N2C(C3=C(C2=O)Oc2ccccc2C3=O)c2ccc(c(c2)OC)O)s1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.9115 |
logD: | 3.9091 |
logSw: | -3.7217 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.114 |
InChI Key: | SHJNCTVUEVOQBN-HXUWFJFHSA-N |