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Chemical ID: 7741442
Chemical ID:
7741442
Name [?]:
None
SMILES [?]:
CCCn1c(cn2c1nc3c2c(=O)n(c(=O)n3C)CCCc4ccccc4)C
InChi [?]:
InChI=1/C21H25N5O2/c1-4-12-24-15(2)14-26-17-18(22-20(24)26)23(3)21(28)25(19(17)27)13-8-11-16-9-6-5-7-10-16/h5-7,9-10,14H,4,8,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,18,2,25,24,26,20,23,27,21,3,19,6,5,22,11,10,12,8,15,9,17,4,14,7,13,16/E:(6,7)(9,10)/rA:28nCCCNCCNCNCCCONCONCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s4s7;d8;s9;s7d10;s11;d12;s12;s14;d15;s10s15;s17;s14;s19;s20;s21;s22;d23;s24;d25;d22s26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25N5O2 |
All Atoms: | 53 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.9033 |
Area: | 612.916 |
Solvation: | -2.41963 |
Coulombic: | -56.3181 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.63 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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