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Chemical ID: 7593509
Chemical ID:
7593509
Name [?]:
None
SMILES [?]:
CN(C1CCCCC1)C(=O)CCCOc2ccc3c(c2)CN4CC(=O)N=C4N3
InChi [?]:
InChI=1/C21H28N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,12,4,8,11,16,17,13,20,21,23,19,3,15,18,24,9,27,28,26,2,22,25,10,14/E:(3,4)(6,7)/rA:28nCNCCCCCCCOCCCOCCCCCCCNCCONCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s2;d9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;s23;d24;s24;s22d26;s18s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N4O3 |
All Atoms: | 56 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.4235 |
Area: | 623.313 |
Solvation: | -5.15936 |
Coulombic: | -55.8092 |
Bond Count [?]
All: | 31 |
Single: | 25 |
Double: | 6 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.07 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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