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rel-(8aR,12aS)-4-[(4-chlorophenyl)acetyl]-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one

Chemical Structure Depiction of
rel-(8aR,12aS)-4-[(4-chlorophenyl)acetyl]-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
Available: 1 mg
Amount:
mg
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$83.09
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Compound characteristics

Compound ID: SB83-0612
Compound Name: rel-(8aR,12aS)-4-[(4-chlorophenyl)acetyl]-1-(methoxyacetyl)dodecahydro-1,4,7-benzotriazecin-8(1H)-one
Molecular Weight: 435.95
Molecular Formula: C22 H30 Cl N3 O4
Smiles: COCC(N1CCN(CCNC([C@H]2CCCC[C@@H]12)=O)C(Cc1ccc(cc1)[Cl])=O)=O
Stereo: RELATIVE
logP: 1.4627
logD: 1.4627
logSw: -2.6224
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 1
Polar surface area: 65.605
InChI Key: UDXODUOQZVSORB-OALUTQOASA-N
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