2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)prop-2-en-1-ylidene]-2,3-dihydro-1,3-benzothiazole
Chemical Structure Depiction of
2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)prop-2-en-1-ylidene]-2,3-dihydro-1,3-benzothiazole
2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)prop-2-en-1-ylidene]-2,3-dihydro-1,3-benzothiazole
Compound characteristics
Compound ID: | 4872-0399 |
Compound Name: | 2-[3,3-dichloro-1-nitro-2-(phenylsulfanyl)prop-2-en-1-ylidene]-2,3-dihydro-1,3-benzothiazole |
Molecular Weight: | 397.3 |
Molecular Formula: | C16 H10 Cl2 N2 O2 S2 |
Smiles: | c1ccc(cc1)SC(/C(=C1/Nc2ccccc2S1)[N+]([O-])=O)=C([Cl])[Cl] |
Stereo: | ACHIRAL |
logP: | 5.9103 |
logD: | 5.9075 |
logSw: | -6.2711 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.47 |
InChI Key: | NTTACNPLJJDSMB-UHFFFAOYSA-N |