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Chemical ID: 7701178
Chemical ID:
7701178
Name [?]:
None
SMILES [?]:
Cc1ccccc1NC(=O)c2ccc(c(c2)NC(=O)c3ccc(cc3)OC)Cl
InChi [?]:
InChI=1/C22H19ClN2O3/c1-14-5-3-4-6-19(14)24-22(27)16-9-12-18(23)20(13-16)25-21(26)15-7-10-17(28-2)11-8-15/h3-13H,1-2H3,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,4,5,3,6,21,25,12,22,24,13,16,2,20,11,23,14,7,15,18,9,28,8,17,19,10,26/E:(7,8)(10,11)/rA:28nCCCCCCCNCOCCCCCCNCOCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;s26;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19ClN2O3 |
All Atoms: | 47 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.162 |
Area: | 616.25 |
Solvation: | -4.24428 |
Coulombic: | -51.6182 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.73 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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