3-demethyl-3-ethylthiocolchicine

3-demethyl-3-ethylthiocolchicine
Compound Structure:
Synonyms: 3-Demethyl-3-ethylthiocolchicine;SCHEMBL12091271;N-[3-Ethoxy-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Compound ID: NMPC-344
PubChem ID:

634734
Molecular Formula: C23H27NO5S
Canonical SMILES: CCOC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC
InChIKey: OVIPSYCLBQGOHE-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

429.5 g/mol

XLogP3

2.1

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

6

Rotatable Bond Count

6

Exact Mass

429.16099414 g/mol

Monoisotopic Mass

429.16099414 g/mol

Topological Polar Surface Area

99.2Ų

Heavy Atom Count

30

Formal Charge

0

Complexity

759

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Millettia aboensis
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