N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-4-methoxy-3-nitrobenzamide
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 3792-1968 |
| Compound Name: | N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 478.48 |
| Molecular Formula: | C23 H18 N4 O6 S |
| Smiles: | COc1ccc(cc1NC(NC(c1ccc(c(c1)[N+]([O-])=O)OC)=O)=S)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 4.4811 |
| logD: | 4.4803 |
| logSw: | -4.4673 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.694 |
| InChI Key: | DYJQZQGGMMOGOM-UHFFFAOYSA-N |