Chemical ID: 4608956

C=CCN1c2ccccc2C(=NNC(=O)CNC(=O)c3ccc(cc3)F)C1=O
Chemical ID:
4608956
Name [?]:
N-[(1-allyl-2-oxo-indolin-3-ylidene)aminocarbamoylmethyl]-4-fluoro-benzamide
SMILES [?]:
C=CCN1c2ccccc2C(=NNC(=O)CNC(=O)c3ccc(cc3)F)C1=O
InChi [?]:
InChI=1/C20H17FN4O3/c1-2-11-25-16-6-4-3-5-15(16)18(20(25)28)24-23-17(26)12-22-19(27)13-7-9-14(21)10-8-13/h2-10H,1,11-12H2,(H,22,27)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,9,6,21,25,22,24,3,16,20,23,10,5,14,11,18,27,26,17,13,12,4,15,19,28/E:(7,8)(9,10)/rA:28nCCCNCCCCCCCNNCOCNCOCCCCCCFCO/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;s4s11;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17FN4O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.44569
Area:608.932
Solvation:-5.77762
Coulombic:-63.3648
Bond Count [?]
All:30
Single:19
Double:11
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:380.373
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.95
LogP (Chemaxon):2.21

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