3-(3-methoxyphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(3-methoxyphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(3-methoxyphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F092-0070 |
| Compound Name: | 3-(3-methoxyphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 427.56 |
| Molecular Formula: | C20 H17 N3 O2 S3 |
| Smiles: | Cc1cccc(CSC2NC(C3=C(N=2)N(C(=S)S3)c2cccc(c2)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6984 |
| logD: | 4.6975 |
| logSw: | -4.4858 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.84 |
| InChI Key: | WLEQGHPWEDEHQR-UHFFFAOYSA-N |