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Chemical ID: 4906748
Chemical ID:
4906748
Name [?]:
None
SMILES [?]:
COc1cccc2c1N(C34C25CCN6C5C(CCC6)(CC3)CC4C(=O)OC)C=O
InChi [?]:
InChI=1/C23H28N2O4/c1-28-17-6-3-5-15-18(17)25(14-26)23-9-8-21(13-16(23)19(27)29-2)7-4-11-24-12-10-22(15,23)20(21)24/h3,5-6,14,16,20H,4,7-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,5,18,6,4,17,20,21,12,19,13,22,28,7,23,3,8,24,15,16,11,10,14,9,29,25,2,26/rA:29cCOCCCCCCNCCCCNCCCCCCCCCCOOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7s10;s11;s12;s13;s11s14;s15;s16;s17;s14s18;s16;s10s20;s16;s10s22;s23;d24;s24;s26;s9;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 7.50797 |
Area: | 527.148 |
Solvation: | -5.67073 |
Coulombic: | -44.0741 |
Bond Count [?]
All: | 34 |
Single: | 29 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 396.479 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.76 |
LogP (Chemaxon): | 1.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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