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Chemical ID: 6018227
Chemical ID:
6018227
Name [?]:
3-(1H-indol-3-yl)-3-(m-tolyl)-N-(3-pyridylmethyl)propanamide
SMILES [?]:
Cc1cccc(c1)C(CC(=O)NCc2cccnc2)c3c[nH]c4c3cccc4
InChi [?]:
InChI=1/C24H23N3O/c1-17-6-4-8-19(12-17)21(22-16-26-23-10-3-2-9-20(22)23)13-24(28)27-15-18-7-5-11-25-14-18/h2-12,14,16,21,26H,13,15H2,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,26,27,4,16,3,15,5,25,28,17,7,9,19,13,21,2,14,6,24,8,20,23,10,18,22,12,11/rA:28cCCCCCCCCCCONCCCCCNCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s8;d20;s21;s22;s20s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23N3O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6229 |
Area: | 609.709 |
Solvation: | -3.61988 |
Coulombic: | -37.6056 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 369.459 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.86 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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