methyl 3-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamamido}thiophene-2-carboxylate
methyl 3-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | L320-0468 |
| Compound Name: | methyl 3-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamamido}thiophene-2-carboxylate |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C21 H17 N3 O3 S2 |
| Smiles: | Cc1cc(ccc1NC(Nc1ccsc1C(=O)OC)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0941 |
| logD: | 5.0791 |
| logSw: | -4.9177 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.787 |
| InChI Key: | LAOFURTXTKYUPS-UHFFFAOYSA-N |