Chemical ID: 7391894

Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccccc4F)CCc5ccc(c(c5)OC)OC
Chemical ID:
7391894
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccccc4F)CCc5ccc(c(c5)OC)OC
InChi [?]:
InChI=1/C28H23ClFNO5/c1-15-12-22-18(14-19(15)29)26(32)24-25(17-6-4-5-7-20(17)30)31(28(33)27(24)36-22)11-10-16-8-9-21(34-2)23(13-16)35-3/h4-9,12-14,25H,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,36,34,20,21,19,22,28,29,26,25,3,32,6,2,27,18,5,7,23,30,4,31,11,17,9,12,14,8,24,16,10,15,35,33,13/rA:36cCCCCCCCClCOCCOCONCCCCCCCFCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s23;s16;s25;s26;s27;d28;s29;d30;d27s31;s31;s33;s30;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H23ClFNO5
All Atoms:59
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:10.2319
Area:719.357
Solvation:-7.75201
Coulombic:-53.087
Bond Count [?]
All:40
Single:28
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:507.937
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.86
LogP (Chemaxon):5.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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