2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one

Chemical Structure Depiction of
2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one
Available: 222 mg
Amount:
mg
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Compound characteristics

Compound ID: J031-2321
Compound Name: 2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one
Molecular Weight: 463.55
Molecular Formula: C25 H25 N3 O4 S
Smiles: C1Cc2cc(ccc2OC1)C(CSc1nnc(c2ccc3c(c2)OCCCO3)n1C1CC1)=O
Stereo: ACHIRAL
logP: 4.4044
logD: 4.4044
logSw: -4.4963
Hydrogen bond acceptors count: 8
Polar surface area: 62.15
InChI Key: KQWLDFHSQTVZOQ-UHFFFAOYSA-N
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