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Chemical ID: 6018180
Chemical ID:
6018180
Name [?]:
3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(3-pyridylmethyl)propanamide
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)C(CC(=O)NCc3cccnc3)c4ccc(cc4)F
InChi [?]:
InChI=1/C23H20FN3O/c24-18-9-7-17(8-10-18)20(21-15-26-22-6-2-1-5-19(21)22)12-23(28)27-14-16-4-3-11-25-13-16/h1-11,13,15,20,26H,12,14H2,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,6,3,23,27,24,26,19,11,21,15,8,16,22,25,5,10,7,4,12,28,20,9,14,13/E:(7,8)(9,10)/rA:28cCCCCCCCCNCCCONCCCCCNCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s10;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20FN3O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5761 |
Area: | 596.35 |
Solvation: | -4.33268 |
Coulombic: | -41.0144 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 373.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.59 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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