5'-acetyl-3'-(4-methoxyphenyl)-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H,3'H-spiro[[1]benzothieno[2,3-d]pyrimidine-2,2'-[1,3,4]thiadiazol]-4(3H)-one
Chemical Structure Depiction of
5'-acetyl-3'-(4-methoxyphenyl)-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H,3'H-spiro[[1]benzothieno[2,3-d]pyrimidine-2,2'-[1,3,4]thiadiazol]-4(3H)-one
5'-acetyl-3'-(4-methoxyphenyl)-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H,3'H-spiro[[1]benzothieno[2,3-d]pyrimidine-2,2'-[1,3,4]thiadiazol]-4(3H)-one
Compound characteristics
| Compound ID: | 8011-2019 |
| Compound Name: | 5'-acetyl-3'-(4-methoxyphenyl)-7-methyl-3-phenyl-5,6,7,8-tetrahydro-1H,3'H-spiro[[1]benzothieno[2,3-d]pyrimidine-2,2'-[1,3,4]thiadiazol]-4(3H)-one |
| Molecular Weight: | 518.66 |
| Molecular Formula: | C27 H26 N4 O3 S2 |
| Smiles: | CC1CCc2c3C(N(c4ccccc4)C4(Nc3sc2C1)N(c1ccc(cc1)OC)N=C(C(C)=O)S4)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5118 |
| logD: | 5.5106 |
| logSw: | -5.5165 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.828 |
| InChI Key: | CQTOXQOZDOIXNO-UHFFFAOYSA-N |