methyl 3-{[4-propyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[4-propyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]amino}benzoate
methyl 3-{[4-propyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | M057-1817 |
| Compound Name: | methyl 3-{[4-propyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]amino}benzoate |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C19 H19 N3 O3 S |
| Smiles: | CCCc1c(C(Nc2cccc(c2)C(=O)OC)=O)sc(n1)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9287 |
| logD: | 4.9281 |
| logSw: | -4.7063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.576 |
| InChI Key: | XZBVFMWHPDKXBT-UHFFFAOYSA-N |