methyl 2-{4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3-nitrobenzoyl}benzoate

Chemical Structure Depiction of
methyl 2-{4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3-nitrobenzoyl}benzoate
Available: 34 mg
Amount:
mg
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Compound characteristics

Compound ID: 8017-6962
Compound Name: methyl 2-{4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3-nitrobenzoyl}benzoate
Molecular Weight: 423.45
Molecular Formula: C21 H17 N3 O5 S
Smiles: Cc1cc(C)nc(n1)Sc1ccc(cc1[N+]([O-])=O)C(c1ccccc1C(=O)OC)=O
Stereo: ACHIRAL
logP: 4.4669
logD: 4.4669
logSw: -4.6262
Hydrogen bond acceptors count: 12
Polar surface area: 84.594
InChI Key: GTTSYYLPNVNXMS-UHFFFAOYSA-N
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