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 |