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Chemical ID: 4824403
Chemical ID:
4824403
Name [?]:
N,N'-bis[(2-oxo-1-propyl-indolin-3-ylidene)amino]pentanediamide
SMILES [?]:
CCCN1c2ccccc2C(=NNC(=O)CCCC(=O)NN=C3c4ccccc4N(C3=O)CCC)C1=O
InChi [?]:
InChI=1/C27H30N6O4/c1-3-16-32-20-12-7-5-10-18(20)24(26(32)36)30-28-22(34)14-9-15-23(35)29-31-25-19-11-6-8-13-21(19)33(17-4-2)27(25)37/h5-8,10-13H,3-4,9,14-17H2,1-2H3,(H,28,34)(H,29,35)
InChi Info:
AuxInfo=1/1/N:1,35,2,34,8,26,7,27,17,9,25,6,28,16,18,3,33,10,24,5,29,14,19,11,23,36,31,13,21,12,22,4,30,15,20,37,32/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)/gE:(1,2)/rA:37nCCCNCCCCCCCNNCOCCCCONNCCCCCCCNCOCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s19;s21;w22;s23;s24;d25;s26;d27;d24s28;s29;s23s30;d31;s30;s33;s34;s4s11;d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H30N6O4 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7158 |
Area: | 810.404 |
Solvation: | -8.54434 |
Coulombic: | -70.1791 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 12 |
Chiral: | 2 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 502.565 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 10 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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