N-{[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}furan-2-carboxamide
Chemical Structure Depiction of
N-{[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}furan-2-carboxamide
N-{[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}furan-2-carboxamide
Compound characteristics
Compound ID: | 3616-3526 |
Compound Name: | N-{[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}furan-2-carboxamide |
Molecular Weight: | 476.73 |
Molecular Formula: | C19 H11 Br Cl N3 O3 S |
Smiles: | c1cc(C(NC(Nc2ccc3c(c2)nc(c2cc(ccc2[Cl])[Br])o3)=S)=O)oc1 |
Stereo: | ACHIRAL |
logP: | 5.5536 |
logD: | 5.5533 |
logSw: | -6.074 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.628 |
InChI Key: | SGZDHJWMVNKAPW-UHFFFAOYSA-N |