Chemical ID: 6425343

CCOC(=O)C1=C(N(C(=O)C1=O)N(c2ccccc2)c3ccccc3)c4ccccc4
Chemical ID:
6425343
Name [?]:
ethyl 1-diphenylamino-4,5-dioxo-2-phenyl-pyrrole-3-carboxylate
SMILES [?]:
CCOC(=O)C1=C(N(C(=O)C1=O)N(c2ccccc2)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C25H20N2O4/c1-2-31-25(30)21-22(18-12-6-3-7-13-18)27(24(29)23(21)28)26(19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,29,17,23,28,30,16,18,22,24,27,31,15,19,21,25,26,14,20,6,7,11,9,4,13,8,12,10,5,3/E:(4,5)(6,7)(8,9,10,11)(12,13)(14,15,16,17)(19,20)/rA:31nCCOCOCCNCOCONCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s6s9;d11;s8;s13;s14;d15;s16;d17;d14s18;s13;s20;d21;s22;d23;d20s24;s7;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.0718
Area:605.318
Solvation:-4.06116
Coulombic:-48.3897
Bond Count [?]
All:34
Single:21
Double:13
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:412.437
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.27
LogP (Chemaxon):3.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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