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Chemical ID: 7701182
Chemical ID:
7701182
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C22H19ClN2O4/c1-28-17-8-3-14(4-9-17)21(26)25-20-13-15(5-12-19(20)23)22(27)24-16-6-10-18(29-2)11-7-16/h3-13H,1-2H3,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,29,5,7,15,23,27,4,8,24,26,16,13,6,14,22,3,25,17,12,9,19,18,21,11,10,20,2,28/E:(3,4)(6,7)(8,9)(10,11)/rA:29nCOCCCCCCCONCCCCCCClCONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19ClN2O4 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.4002 |
Area: | 637.618 |
Solvation: | -5.54026 |
Coulombic: | -57.8584 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.42 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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