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Chemical ID: 7406024
Chemical ID:
7406024
Name [?]:
None
SMILES [?]:
Cc1ccccc1N2CCn3c2nc4c3c(=O)n(c(=O)n4C)CCCc5ccccc5
InChi [?]:
InChI=1/C24H25N5O2/c1-17-9-6-7-13-19(17)27-15-16-28-20-21(25-23(27)28)26(2)24(31)29(22(20)30)14-8-12-18-10-4-3-5-11-18/h3-7,9-11,13H,8,12,14-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,29,28,30,4,5,24,3,27,31,25,6,23,9,10,2,26,7,15,14,16,12,19,13,21,8,11,18,17,20/E:(4,5)(10,11)/rA:31nCCCCCCCNCCNCNCCCONCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s8s11;d12;s13;s11d14;s15;d16;s16;s18;d19;s14s19;s21;s18;s23;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25N5O2 |
All Atoms: | 56 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3989 |
Area: | 647.12 |
Solvation: | -2.77909 |
Coulombic: | -57.9054 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 415.488 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.13 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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