5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(3,4-dimethylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(3,4-dimethylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(3,4-dimethylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-1088 |
| Compound Name: | 5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(3,4-dimethylphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 495.68 |
| Molecular Formula: | C25 H25 N3 O2 S3 |
| Smiles: | Cc1ccc(cc1C)N1C2=C(C(N(C(=N2)SCC(C(C)(C)C)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.0468 |
| logD: | 6.0468 |
| logSw: | -5.3972 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 40.473 |
| InChI Key: | PSSXDCMVPATKEI-UHFFFAOYSA-N |