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Chemical ID: 3982591
Chemical ID:
3982591
Name [?]:
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-naphthyl)pyrrole-3-carboxamide
SMILES [?]:
Cc1c(cc(n1CCc2ccc(cc2)OC)c3ccc4ccccc4c3)C(=O)N
InChi [?]:
InChI=1/C25H24N2O2/c1-17-23(25(26)28)16-24(21-10-9-19-5-3-4-6-20(19)15-21)27(17)14-13-18-7-11-22(29-2)12-8-18/h3-12,15-16H,13-14H2,1-2H3,(H2,26,28)
InChi Info:
AuxInfo=1/1/N:1,16,22,23,21,24,10,14,19,18,11,13,8,7,26,4,2,9,20,25,17,12,3,5,27,29,6,28,15/E:(7,8)(11,12)/rA:29nCCCCCNCCCCCCCCOCCCCCCCCCCCCON/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s5;s17;d18;s19;s20;d21;s22;d23;d20s24;d17s25;s3;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.08 |
Area: | 602.224 |
Solvation: | -3.97564 |
Coulombic: | -41.656 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 384.47 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.17 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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