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Chemical ID: 4796179
Chemical ID:
4796179
Name [?]:
None
SMILES [?]:
CCCCn1c(c(c2c1nc3ccccc3n2)C(=O)NC(C)CCCC(C)C)N
InChi [?]:
InChI=1/C23H33N5O/c1-5-6-14-28-21(24)19(23(29)25-16(4)11-9-10-15(2)3)20-22(28)27-18-13-8-7-12-17(18)26-20/h7-8,12-13,15-16H,5-6,9-11,14,24H2,1-4H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,27,28,22,2,3,14,13,24,25,23,15,12,4,26,21,16,11,7,8,6,9,18,29,20,17,10,5,19/E:(2,3)/rA:29cCCCCNCCCCNCCCCCCNCONCCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;s5s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s7;d18;s18;s20;s21;s21;s23;s24;s25;s26;s26;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H33N5O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.2779 |
Area: | 658.575 |
Solvation: | -2.18646 |
Coulombic: | -59.2048 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 395.541 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 6.95 |
LogP (Chemaxon): | 5.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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