ethyl 4-(2-imino-5-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}-4-oxo-1,3-thiazolidin-3-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(2-imino-5-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}-4-oxo-1,3-thiazolidin-3-yl)benzoate
ethyl 4-(2-imino-5-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}-4-oxo-1,3-thiazolidin-3-yl)benzoate
Compound characteristics
| Compound ID: | 3736-0235 |
| Compound Name: | ethyl 4-(2-imino-5-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}-4-oxo-1,3-thiazolidin-3-yl)benzoate |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C24 H25 N5 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(=N)SC(=C/c2ccc(c(c2)[N+]([O-])=O)N2CCN(C)CC2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4794 |
| logD: | 3.0195 |
| logSw: | -3.9363 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.831 |
| InChI Key: | DPMURDQHXBKNCK-UHFFFAOYSA-N |