Chemical ID: 3982574

Cc1c(cc(n1Cc2ccc(cc2)OC)c3ccc(cc3)C#N)C(=O)N
Chemical ID:
3982574
Name [?]:
5-(4-cyanophenyl)-1-[(4-methoxyphenyl)methyl]-2-methyl-pyrrole-3-carboxamide
SMILES [?]:
Cc1c(cc(n1Cc2ccc(cc2)OC)c3ccc(cc3)C#N)C(=O)N
InChi [?]:
InChI=1/C21H19N3O2/c1-14-19(21(23)25)11-20(17-7-3-15(12-22)4-8-17)24(14)13-16-5-9-18(26-2)10-6-16/h3-11H,13H2,1-2H3,(H2,23,25)
InChi Info:
AuxInfo=1/1/N:1,15,18,20,9,13,17,21,10,12,4,22,7,2,19,8,16,11,3,5,24,23,26,6,25,14/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCCCNCCCCCCCOCCCCCCCCNCON/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s5;s16;d17;s18;d19;d16s20;s19;t22;s3;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.77642
Area:561.418
Solvation:-4.25902
Coulombic:-43.4903
Bond Count [?]
All:28
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:345.395
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.46
LogP (Chemaxon):2.75

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Descriptor Annotations

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