methyl (2-{[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]imino}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate
Chemical Structure Depiction of
methyl (2-{[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]imino}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate
methyl (2-{[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]imino}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate
Compound characteristics
| Compound ID: | Y021-2694 |
| Compound Name: | methyl (2-{[N-(4,6-dimethylquinazolin-2-yl)carbamimidoyl]imino}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C23 H20 N6 O3 S |
| Smiles: | Cc1ccc2c(c1)c(C)nc(NC(=N)/N=C1/N(C(/C(=C\C(=O)OC)S1)=O)c1ccccc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.5024 |
| logD: | 3.4917 |
| logSw: | -3.8853 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.795 |
| InChI Key: | WZLDWOKDPGKDKM-UHFFFAOYSA-N |