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Chemical ID: 7703764
Chemical ID:
7703764
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)nc([nH]2)c3ccc(cc3)NC(=O)Cc4ccc(cc4)OC
InChi [?]:
InChI=1/C23H21N3O2/c1-15-3-12-20-21(13-15)26-23(25-20)17-6-8-18(9-7-17)24-22(27)14-16-4-10-19(28-2)11-5-16/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,28,3,22,26,12,16,13,15,23,25,4,7,20,2,21,11,14,24,5,6,18,9,17,10,8,19,27/E:(4,5)(6,7)(8,9)(10,11)/rA:28nCCCCCCCNCNCCCCCCNCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21N3O2 |
All Atoms: | 49 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.5964 |
Area: | 605.182 |
Solvation: | -4.53316 |
Coulombic: | -45.2156 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.4 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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