3-(2-chlorophenyl)-5-methyl-N-{[4-(morpholine-4-sulfonyl)phenyl]carbamothioyl}-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
3-(2-chlorophenyl)-5-methyl-N-{[4-(morpholine-4-sulfonyl)phenyl]carbamothioyl}-1,2-oxazole-4-carboxamide
3-(2-chlorophenyl)-5-methyl-N-{[4-(morpholine-4-sulfonyl)phenyl]carbamothioyl}-1,2-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | C301-0642 |
| Compound Name: | 3-(2-chlorophenyl)-5-methyl-N-{[4-(morpholine-4-sulfonyl)phenyl]carbamothioyl}-1,2-oxazole-4-carboxamide |
| Molecular Weight: | 521.01 |
| Molecular Formula: | C22 H21 Cl N4 O5 S2 |
| Smiles: | Cc1c(C(NC(Nc2ccc(cc2)S(N2CCOCC2)(=O)=O)=S)=O)c(c2ccccc2[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 3.3424 |
| logD: | 3.3416 |
| logSw: | -4.035 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.819 |
| InChI Key: | BIHQDYQMRYKXOZ-UHFFFAOYSA-N |