Chemical ID: 6337800

Cc1c(c2ccccc2[nH]1)C=C(C#N)C(=O)NC3CCCCCC3
Chemical ID:
6337800
Name [?]:
2-cyano-N-cycloheptyl-3-(2-methyl-1H-indol-3-yl)-prop-2-enamide
SMILES [?]:
Cc1c(c2ccccc2[nH]1)C=C(C#N)C(=O)NC3CCCCCC3
InChi [?]:
InChI=1/C20H23N3O/c1-14-18(17-10-6-7-11-19(17)22-14)12-15(13-21)20(24)23-16-8-4-2-3-5-9-16/h6-7,10-12,16,22H,2-5,8-9H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,21,22,20,23,6,7,19,24,5,8,11,13,2,12,18,4,3,9,15,14,10,17,16/E:(2,3)(4,5)(8,9)/rA:24nCCCCCCCCCNCCCNCONCCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;w11;s12;t13;s12;d15;s15;s17;s18;s19;s20;s21;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N3O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.2299
Area:536.677
Solvation:-2.18705
Coulombic:-37.5692
Bond Count [?]
All:26
Single:19
Double:6
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:321.416
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.05
LogP (Chemaxon):3.78

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