3-[1-(3-chlorophenyl)-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl]-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[1-(3-chlorophenyl)-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl]-8-methoxy-2H-1-benzopyran-2-one
3-[1-(3-chlorophenyl)-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl]-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K241-0364 |
| Compound Name: | 3-[1-(3-chlorophenyl)-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl]-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 384.84 |
| Molecular Formula: | C19 H13 Cl N2 O3 S |
| Smiles: | COc1cccc2C=C(C3=CN(C(N3)=S)c3cccc(c3)[Cl])C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 3.8054 |
| logD: | 3.5103 |
| logSw: | -4.4413 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.635 |
| InChI Key: | ZHXABWJEMBVZDC-UHFFFAOYSA-N |