3-(4-chlorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(4-chlorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
Compound ID: | F092-0146 |
Compound Name: | 3-(4-chlorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
Molecular Weight: | 435.95 |
Molecular Formula: | C18 H11 Cl F N3 O S3 |
Smiles: | C(c1cccc(c1)F)SC1NC(C2=C(N=1)N(C(=S)S2)c1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.6049 |
logD: | 4.6039 |
logSw: | -4.8941 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 36.296 |
InChI Key: | CDIDQQDTECPNLI-UHFFFAOYSA-N |