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Chemical ID: 4561558
Chemical ID:
4561558
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)CCN(C3)C(=O)CN4CC5CC(C4)c6cccc(=O)n6C5
InChi [?]:
InChI=1/C24H26N4O2/c29-23-7-3-6-22-17-10-16(12-28(22)23)11-26(13-17)15-24(30)27-9-8-21-19(14-27)18-4-1-2-5-20(18)25-21/h1-7,16-17,25H,8-15H2
InChi Info:
AuxInfo=1/0/N:1,2,25,6,3,24,26,10,11,20,18,30,22,13,16,19,21,5,7,4,8,23,27,14,9,17,12,29,28,15/rA:30cCCCCCCCCNCCNCCOCNCCCCCCCCCCONC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s12;d14;s14;s16;s17;s18;s19;s20;s17s21;s21;d23;s24;d25;s26;d27;s23s27;s19s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26N4O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.88173 |
Area: | 583.191 |
Solvation: | -4.69806 |
Coulombic: | -46.6289 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 402.489 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.94 |
LogP (Chemaxon): | 1.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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