5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-(phenylimino)-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-(phenylimino)-1,3-thiazolidin-4-one
5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-(phenylimino)-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 2368-1312 |
| Compound Name: | 5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-(phenylimino)-1,3-thiazolidin-4-one |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C22 H18 N4 O3 S |
| Smiles: | Cc1cc(\C=C2/C(N/C(=N/c3ccccc3)S2)=O)c(C)n1c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9315 |
| logD: | 3.9315 |
| logSw: | -4.0458 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.199 |
| InChI Key: | MYBXJGOMQFVWNT-UHFFFAOYSA-N |