Chemical ID: 3966719

Cc1c(c(c([nH]1)C)C(=O)OC)C(=O)c2ccccc2Cc3ccccc3
Chemical ID:
3966719
Name [?]:
methyl 4-(2-benzylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
SMILES [?]:
Cc1c(c(c([nH]1)C)C(=O)OC)C(=O)c2ccccc2Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H21NO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.058
Area:512.932
Solvation:-2.7653
Coulombic:-41.0331
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:347.407
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.58
LogP (Chemaxon):3.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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