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Chemical ID: 4782811
Chemical ID:
4782811
Name [?]:
5-(4-chlorophenyl)-N-(3-methoxyphenyl)-2-methyl-1-phenyl-pyrrole-3-carboxamide
SMILES [?]:
Cc1c(cc(n1c2ccccc2)c3ccc(cc3)Cl)C(=O)Nc4cccc(c4)OC
InChi [?]:
InChI=1/C25H21ClN2O2/c1-17-23(25(29)27-20-7-6-10-22(15-20)30-2)16-24(18-11-13-19(26)14-12-18)28(17)21-8-4-3-5-9-21/h3-16H,1-2H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,30,10,9,11,25,24,8,12,26,14,18,15,17,28,4,2,13,16,23,7,27,3,5,20,19,22,6,21,29/E:(4,5)(8,9)(11,12)(13,14)/rA:30nCCCCCNCCCCCCCCCCCCClCONCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s5;s13;d14;s15;d16;d13s17;s16;s3;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H21ClN2O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1124 |
Area: | 637.276 |
Solvation: | -3.81951 |
Coulombic: | -36.8894 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 416.899 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.3 |
LogP (Chemaxon): | 5.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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