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Chemical ID: 4648362
Chemical ID:
4648362
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(cc3c2OC4(C3CCCNC4=O)N5CCCCC5)O
InChi [?]:
InChI=1/C21H24N2O3/c24-18-13-16-17-9-6-10-22-20(25)21(17,23-11-4-1-5-12-23)26-19(16)15-8-3-2-7-14(15)18/h2-3,7-8,13,17,24H,1,4-6,9-12H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:23,1,2,22,24,15,6,3,14,16,21,25,8,5,4,9,13,7,10,18,12,17,20,26,19,11/E:(4,5)(11,12)/rA:26cCCCCCCCCCCOCCCCCNCONCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s9s12;s13;s14;s15;s16;s12s17;d18;s12;s20;s21;s22;s23;s20s24;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.05923 |
Area: | 500.235 |
Solvation: | -3.44663 |
Coulombic: | -54.7445 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 352.427 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.84 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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