Chemical ID: 7304874

CCOC(=O)c1c(c([nH]c1C)C(=O)Nc2ccc(cc2)C)C
Chemical ID:
7304874
Name [?]:
ethyl 2,4-dimethyl-5-(p-tolylcarbamoyl)-1H-pyrrole-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(c([nH]c1C)C(=O)Nc2ccc(cc2)C)C
InChi [?]:
InChI=1/C17H20N2O3/c1-5-22-17(21)14-11(3)15(18-12(14)4)16(20)19-13-8-6-10(2)7-9-13/h6-9,18H,5H2,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,22,11,2,17,19,16,20,18,7,10,15,6,8,12,4,9,14,13,5,3/E:(6,7)(8,9)/rA:22nCCOCOCCCNCCCONCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s8;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O3
All Atoms:42
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.6397
Area:527.858
Solvation:-2.55677
Coulombic:-52.9839
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:300.352
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.9
LogP (Chemaxon):2.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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