N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 4126-0176 |
| Compound Name: | N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 462.48 |
| Molecular Formula: | C23 H18 N4 O5 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(NC(Nc1cc(ccc1OC)c1nc2ccccc2o1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2233 |
| logD: | 5.2173 |
| logSw: | -5.1483 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.063 |
| InChI Key: | JMIGHSOOIITKKY-UHFFFAOYSA-N |