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Chemical ID: 4782783
Chemical ID:
4782783
Name [?]:
N-(3-methoxyphenyl)-2-methyl-1,5-diphenyl-pyrrole-3-carboxamide
SMILES [?]:
Cc1c(cc(n1c2ccccc2)c3ccccc3)C(=O)Nc4cccc(c4)OC
InChi [?]:
InChI=1/C25H22N2O2/c1-18-23(25(28)26-20-12-9-15-22(16-20)29-2)17-24(19-10-5-3-6-11-19)27(18)21-13-7-4-8-14-21/h3-17H,1-2H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,29,16,10,15,17,9,11,24,14,18,23,8,12,25,27,4,2,13,22,7,26,3,5,19,21,6,20,28/E:(5,6)(7,8)(10,11)(13,14)/rA:29nCCCCCNCCCCCCCCCCCCCONCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s5;s13;d14;s15;d16;d13s17;s3;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H22N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2291 |
Area: | 601.656 |
Solvation: | -3.81229 |
Coulombic: | -36.8175 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.68 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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