N-(3-methoxypyrazin-2-yl)-4-({[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]carbamothioyl}amino)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(3-methoxypyrazin-2-yl)-4-({[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]carbamothioyl}amino)benzene-1-sulfonamide
N-(3-methoxypyrazin-2-yl)-4-({[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]carbamothioyl}amino)benzene-1-sulfonamide
Compound characteristics
Compound ID: | 8002-4611 |
Compound Name: | N-(3-methoxypyrazin-2-yl)-4-({[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]carbamothioyl}amino)benzene-1-sulfonamide |
Molecular Weight: | 619.43 |
Molecular Formula: | C18 H12 F11 N5 O3 S2 |
Smiles: | COc1c(NS(c2ccc(cc2)NC(NC(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(F)F)=S)(=O)=O)nccn1 |
Stereo: | ACHIRAL |
logP: | 5.2888 |
logD: | 3.7881 |
logSw: | -5.4234 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 88.245 |
InChI Key: | ZTGIFHQWVOURTF-UHFFFAOYSA-N |