Chemical ID: 6568962

COc1ccc(cc1)N(CCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5cccc(c5)Cl
Chemical ID:
6568962
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)N(CCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5cccc(c5)Cl
InChi [?]:
InChI=1/C28H21ClN2O4/c1-35-22-13-11-21(12-14-22)30(26(32)19-7-2-8-20(29)17-19)15-16-31-27(33)23-9-3-5-18-6-4-10-24(25(18)23)28(31)34/h2-14,17H,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,31,17,23,18,24,30,32,16,22,5,7,4,8,10,11,34,19,29,33,6,3,15,21,20,27,13,25,35,9,12,28,14,26,2/E:(3,4)(5,6)(9,10)(11,12)(13,14)(23,24)(27,28)(33,34)/rA:35nCOCCCCCCNCCNCOCCCCCCCCCCCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s12s21;d25;s9;d27;s27;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H21ClN2O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:12.6572
Area:660.014
Solvation:-3.84313
Coulombic:-54.7969
Bond Count [?]
All:39
Single:25
Double:14
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:484.93
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.86
LogP (Chemaxon):4.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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