(4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid

Chemical Structure Depiction of
(4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
Available: 133 mg
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mg
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Compound characteristics

Compound ID: 3685-1986
Compound Name: (4-{[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
Molecular Weight: 461.29
Molecular Formula: C19 H13 Br N2 O5 S
Smiles: C(C(O)=O)Oc1ccc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=S)=O)cc1
Stereo: ACHIRAL
logP: 2.9406
logD: -1.2964
logSw: -3.5356
Hydrogen bond acceptors count: 10
Hydrogen bond donors count: 2
Polar surface area: 76.111
InChI Key: NSQXHUMHTBXBGY-UHFFFAOYSA-N
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