3-benzyl-6-(3-chlorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-benzyl-6-(3-chlorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-benzyl-6-(3-chlorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
Compound ID: | A0019073 |
Compound Name: | 3-benzyl-6-(3-chlorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
Molecular Weight: | 553.08 |
Molecular Formula: | C25 H17 Cl N4 O3 S3 |
Smiles: | C(c1ccccc1)N1C2=C(C(N(C(=N2)SCc2cccc(c2)[N+]([O-])=O)c2cccc(c2)[Cl])=O)SC1=S |
Stereo: | ACHIRAL |
logP: | 6.487 |
logD: | 6.487 |
logSw: | -6.3067 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 60.947 |
InChI Key: | DXNSFNBXUACZRL-UHFFFAOYSA-N |