N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-bromobenzamide
Chemical Structure Depiction of
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-bromobenzamide
N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-bromobenzamide
Compound characteristics
Compound ID: | 4028-1373 |
Compound Name: | N-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-bromobenzamide |
Molecular Weight: | 482.35 |
Molecular Formula: | C22 H16 Br N3 O3 S |
Smiles: | COc1ccc(cc1NC(NC(c1cccc(c1)[Br])=O)=S)c1nc2ccccc2o1 |
Stereo: | ACHIRAL |
logP: | 5.8314 |
logD: | 5.8304 |
logSw: | -5.6816 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 56.983 |
InChI Key: | RCZAVLRSKOTDHQ-UHFFFAOYSA-N |