ethyl 7-methyl-4-oxo-3,3'-diphenyl-3,4,5,6,7,8-hexahydro-1H,3'H-spiro[[1]benzothieno[2,3-d]pyrimidine-2,2'-[1,3,4]thiadiazole]-5'-carboxylate
Chemical Structure Depiction of
ethyl 7-methyl-4-oxo-3,3'-diphenyl-3,4,5,6,7,8-hexahydro-1H,3'H-spiro[[1]benzothieno[2,3-d]pyrimidine-2,2'-[1,3,4]thiadiazole]-5'-carboxylate
ethyl 7-methyl-4-oxo-3,3'-diphenyl-3,4,5,6,7,8-hexahydro-1H,3'H-spiro[[1]benzothieno[2,3-d]pyrimidine-2,2'-[1,3,4]thiadiazole]-5'-carboxylate
Compound characteristics
| Compound ID: | 8011-2020 |
| Compound Name: | ethyl 7-methyl-4-oxo-3,3'-diphenyl-3,4,5,6,7,8-hexahydro-1H,3'H-spiro[[1]benzothieno[2,3-d]pyrimidine-2,2'-[1,3,4]thiadiazole]-5'-carboxylate |
| Molecular Weight: | 518.66 |
| Molecular Formula: | C27 H26 N4 O3 S2 |
| Smiles: | CCOC(C1=NN(c2ccccc2)C2(Nc3c(C(N2c2ccccc2)=O)c2CCC(C)Cc2s3)S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0092 |
| logD: | 6.009 |
| logSw: | -5.5664 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.211 |
| InChI Key: | PDUMTIDGPCUJLV-UHFFFAOYSA-N |