propan-2-yl 4-(2-{[5-(furan-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate

Chemical Structure Depiction of
propan-2-yl 4-(2-{[5-(furan-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Available: 21 mg
Amount:
mg
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Compound characteristics

Compound ID: 8013-2945
Compound Name: propan-2-yl 4-(2-{[5-(furan-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Molecular Weight: 426.49
Molecular Formula: C21 H22 N4 O4 S
Smiles: CC(C)OC(c1ccc(cc1)NC(CSc1nnc(c2ccoc2)n1CC=C)=O)=O
Stereo: ACHIRAL
logP: 3.8117
logD: 3.8116
logSw: -3.9378
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 75.604
InChI Key: BQJGCBSMDAIWAP-UHFFFAOYSA-N
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