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Chemical ID: 7701266
Chemical ID:
7701266
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)Nc3cc(cc(c3)C)C
InChi [?]:
InChI=1/C24H23ClN2O3/c1-4-30-20-8-5-17(6-9-20)23(28)27-22-14-18(7-10-21(22)25)24(29)26-19-12-15(2)11-16(3)13-19/h5-14H,4H2,1-3H3,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,29,30,2,6,8,16,5,9,17,26,28,24,14,27,25,7,15,23,4,18,13,10,20,19,22,12,11,21,3/E:(2,3)(5,6)(8,9)(12,13)(15,16)/rA:30nCCOCCCCCCCONCCCCCCClCONCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s15;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23ClN2O3 |
All Atoms: | 53 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.5968 |
Area: | 673.679 |
Solvation: | -4.24519 |
Coulombic: | -51.4912 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.8 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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