N-{[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl}-3-methyl-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-{[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl}-3-methyl-1-benzofuran-2-carboxamide
N-{[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl}-3-methyl-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | 4059-2334 |
| Compound Name: | N-{[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl}-3-methyl-1-benzofuran-2-carboxamide |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C25 H19 N3 O2 S2 |
| Smiles: | Cc1c(cccc1NC(NC(c1c(C)c2ccccc2o1)=O)=S)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.9852 |
| logD: | 6.9818 |
| logSw: | -6.0477 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.517 |
| InChI Key: | KBNFJVMIDPULNB-UHFFFAOYSA-N |