3-(3,4-dimethylphenyl)-5-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-5-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(3,4-dimethylphenyl)-5-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4160 |
| Compound Name: | 3-(3,4-dimethylphenyl)-5-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 629.82 |
| Molecular Formula: | C32 H31 N5 O3 S3 |
| Smiles: | Cc1ccc(cc1C)N1C2=C(C(N(C(=N2)SCC(N2CCN(CC2)c2ccccc2OC)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.8175 |
| logD: | 5.8174 |
| logSw: | -5.4319 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 53.937 |
| InChI Key: | MMCDDXVZSCJUPT-UHFFFAOYSA-N |