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Chemical ID: 5432429
Chemical ID:
5432429
Name [?]:
N-benzhydryl-3-(1H-indol-3-yl)propanamide
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)NC(=O)CCc3c[nH]c4c3cccc4
InChi [?]:
InChI=1/C24H22N2O/c27-23(16-15-20-17-25-22-14-8-7-13-21(20)22)26-24(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17,24-25H,15-16H2,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,25,26,3,5,9,13,24,27,18,17,20,4,8,19,23,22,15,7,21,14,16/E:(1,2)(3,4,5,6)(9,10,11,12)(18,19)/rA:27nCCCCCCCCCCCCCNCOCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s15;s17;s18;d19;s20;s21;s19s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9553 |
Area: | 596.407 |
Solvation: | -2.95485 |
Coulombic: | -35.4786 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 354.444 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.76 |
LogP (Chemaxon): | 5.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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