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Chemical ID: 6794775
Chemical ID:
6794775
Name [?]:
None
SMILES [?]:
CCCCCn1c(=O)c2c(nc3n2CCN3c4ccc(c(c4)C)C)n(c1=O)C
InChi [?]:
InChI=1/C21H27N5O2/c1-5-6-7-10-26-19(27)17-18(23(4)21(26)28)22-20-24(11-12-25(17)20)16-9-8-14(2)15(3)13-16/h8-9,13H,5-7,10-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,23,28,2,3,4,19,18,5,15,14,22,20,21,17,9,10,7,12,26,11,25,16,13,6,8,27/rA:28nCCCCCNCOCCNCNCCNCCCCCCCCNCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s9s12;s13;s14;s12s15;s16;s17;d18;s19;d20;d17s21;s21;s20;s10;s6s25;d26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N5O2 |
All Atoms: | 55 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6636 |
Area: | 604.849 |
Solvation: | -2.45767 |
Coulombic: | -56.6401 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 381.472 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.48 |
LogP (Chemaxon): | 5.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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