methyl 4-{[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]amino}benzoate
methyl 4-{[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C540-0404 |
| Compound Name: | methyl 4-{[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carbonyl]amino}benzoate |
| Molecular Weight: | 436.44 |
| Molecular Formula: | C21 H16 N4 O5 S |
| Smiles: | Cc1c(C(Nc2ccc(cc2)C(=O)OC)=O)sc2nc(cn12)c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3474 |
| logD: | 4.3464 |
| logSw: | -4.3675 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.089 |
| InChI Key: | KESDWUGLFDGTQR-UHFFFAOYSA-N |