tert-butyl 2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

Chemical Structure Depiction of
tert-butyl 2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Available: 114 mg
Amount:
mg
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Compound characteristics

Compound ID: C200-6621
Compound Name: tert-butyl 2-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-3-(thiophen-2-yl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
Molecular Weight: 498.67
Molecular Formula: C25 H30 N4 O3 S2
Smiles: Cc1ccc(cc1)NC(CSC1C(c2cccs2)=NC2(CCN(CC2)C(=O)OC(C)(C)C)N=1)=O
Stereo: ACHIRAL
logP: 5.0297
logD: 5.0297
logSw: -4.5114
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 63.138
InChI Key: RJFIVMIYENUPAT-UHFFFAOYSA-N
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