Chemical ID: 7021676

CCCCCN1c2ccc(cc2C(=NNC(=O)CCCCCNC(=O)c3ccccc3)C1=O)C
Chemical ID:
7021676
Name [?]:
N-[5-[(5-methyl-2-oxo-1-pentyl-indolin-3-ylidene)aminocarbamoyl]pentyl]benzamide
SMILES [?]:
CCCCCN1c2ccc(cc2C(=NNC(=O)CCCCCNC(=O)c3ccccc3)C1=O)C
InChi [?]:
InChI=1/C27H34N4O3/c1-3-4-11-18-31-23-16-15-20(2)19-22(23)25(27(31)34)30-29-24(32)14-9-6-10-17-28-26(33)21-12-7-5-8-13-21/h5,7-8,12-13,15-16,19H,3-4,6,9-11,14,17-18H2,1-2H3,(H,28,33)(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,34,2,3,29,20,28,30,19,21,4,27,31,18,9,8,22,5,11,10,26,12,7,16,13,24,32,23,15,14,6,17,25,33/E:(7,8)(12,13)/rA:34nCCCCCNCCCCCCCNNCOCCCCCNCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;w13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s23;d24;s24;s26;d27;s28;d29;d26s30;s6s13;d32;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34N4O3
All Atoms:68
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:15.6551
Area:793.044
Solvation:-4.17104
Coulombic:-61.3462
Bond Count [?]
All:36
Single:26
Double:10
Rotors:14
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:462.584
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.76
LogP (Chemaxon):4.62

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Descriptor Annotations

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