Chemical ID: 4979658

CCOC(=O)c1c(c([nH]c1Cc2c(c(c([nH]2)C(=O)OCC)C)C(=O)OCC)C)C
Chemical ID:
4979658
Name [?]:
diethyl 5-[(3-ethoxycarbonyl-4,5-dimethyl-1H-pyrrol-2-yl)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
SMILES [?]:
CCOC(=O)c1c(c([nH]c1Cc2c(c(c([nH]2)C(=O)OCC)C)C(=O)OCC)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H28N2O6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.3892
Area:599.17
Solvation:-3.59004
Coulombic:-80.4665
Bond Count [?]
All:30
Single:23
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:404.457
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.84
LogP (Chemaxon):1.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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