3-(4-methylphenyl)-5-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-methylphenyl)-5-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-methylphenyl)-5-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F092-0514 |
| Compound Name: | 3-(4-methylphenyl)-5-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 446.61 |
| Molecular Formula: | C20 H22 N4 O2 S3 |
| Smiles: | CC1CCCCN1C(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccc(C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2984 |
| logD: | 3.2968 |
| logSw: | -3.4745 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.973 |
| InChI Key: | RRUMNNQRZDMOJC-ZDUSSCGKSA-N |