propyl 5-{[(3-bromo-4-methoxybenzoyl)carbamothioyl]amino}-2-chlorobenzoate
Chemical Structure Depiction of
propyl 5-{[(3-bromo-4-methoxybenzoyl)carbamothioyl]amino}-2-chlorobenzoate
propyl 5-{[(3-bromo-4-methoxybenzoyl)carbamothioyl]amino}-2-chlorobenzoate
Compound characteristics
Compound ID: | 8012-8449 |
Compound Name: | propyl 5-{[(3-bromo-4-methoxybenzoyl)carbamothioyl]amino}-2-chlorobenzoate |
Molecular Weight: | 485.78 |
Molecular Formula: | C19 H18 Br Cl N2 O4 S |
Smiles: | CCCOC(c1cc(ccc1[Cl])NC(NC(c1ccc(c(c1)[Br])OC)=O)=S)=O |
Stereo: | ACHIRAL |
logP: | 5.7855 |
logD: | 5.7822 |
logSw: | -6.0042 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 61.918 |
InChI Key: | PDCQHOSTNXNSNJ-UHFFFAOYSA-N |