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Chemical ID: 4140782
Chemical ID:
4140782
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)N3CCC(CC3C(=O)N2)NC(=O)C4CCCCC4
InChi [?]:
InChI=1/C20H25N3O3/c24-18(13-6-2-1-3-7-13)21-14-10-11-23-17(12-14)19(25)22-16-9-5-4-8-15(16)20(23)26/h4-5,8-9,13-14,17H,1-3,6-7,10-12H2,(H,21,24)(H,22,25)
InChi Info:
AuxInfo=1/1/N:24,23,25,1,2,22,26,6,3,11,10,13,21,12,5,4,14,19,15,7,18,17,9,20,16,8/E:(2,3)(6,7)/rA:26cCCCCCCCONCCCCCCONNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s14;d15;s4s15;s12;s18;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.077 |
Area: | 545.376 |
Solvation: | -3.55739 |
Coulombic: | -59.3935 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 355.431 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.34 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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