3-(2H-1,3-benzodioxol-5-yl)-2-imino-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-2-imino-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazolidin-4-one
3-(2H-1,3-benzodioxol-5-yl)-2-imino-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 3601-0670 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-2-imino-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazolidin-4-one |
| Molecular Weight: | 435.41 |
| Molecular Formula: | C21 H13 N3 O6 S |
| Smiles: | C1Oc2ccc(cc2O1)N1C(=N)SC(=C/c2ccc(c3ccc(cc3)[N+]([O-])=O)o2)\C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.4842 |
| logD: | 4.4842 |
| logSw: | -4.5707 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.436 |
| InChI Key: | KFBHXTFJFIHVOP-UHFFFAOYSA-N |