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Chemical ID: 6318526
Chemical ID:
6318526
Name [?]:
2-cyano-N-cyclohexyl-3-(2-methyl-1H-indol-3-yl)-prop-2-enamide
SMILES [?]:
Cc1c(c2ccccc2[nH]1)C=C(C#N)C(=O)NC3CCCCC3
InChi [?]:
InChI=1/C19H21N3O/c1-13-17(16-9-5-6-10-18(16)21-13)11-14(12-20)19(23)22-15-7-3-2-4-8-15/h5-6,9-11,15,21H,2-4,7-8H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,6,7,19,23,5,8,11,13,2,12,18,4,3,9,15,14,10,17,16/E:(3,4)(7,8)/rA:23nCCCCCCCCCNCCCNCONCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;w11;s12;t13;s12;d15;s15;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8882 |
Area: | 522.433 |
Solvation: | -2.17262 |
Coulombic: | -37.2804 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 307.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.48 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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