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Chemical ID: 4107341
Chemical ID:
4107341
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)N2C(=O)C3C4CCC(C4)C3C2=O)C(=O)NCC5CCCO5
InChi [?]:
InChI=1/C21H24N2O4/c24-19(22-11-16-5-2-8-27-16)14-3-1-4-15(10-14)23-20(25)17-12-6-7-13(9-12)18(17)21(23)26/h1,3-4,10,12-13,16-18H,2,5-9,11H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,6,24,12,13,26,15,4,22,11,14,3,5,23,10,16,19,8,17,21,7,20,9,18,27/E:(6,7)(12,13)(17,18)(20,21)(25,26)/rA:27cCCCCCCNCOCCCCCCCCOCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s11s14;s10s14;s7s16;d17;s3;d19;s19;s21;s22;s23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 9.21217 |
Area: | 565.525 |
Solvation: | -4.92596 |
Coulombic: | -53.2765 |
Bond Count [?]
All: | 31 |
Single: | 25 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.426 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.99 |
LogP (Chemaxon): | 1.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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