Chemical ID: 7387017

Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)CC=C
Chemical ID:
7387017
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)CC=C
InChi [?]:
InChI=1/C22H18ClNO5/c1-4-7-24-19(12-5-6-15(25)17(9-12)28-3)18-20(26)13-10-14(23)11(2)8-16(13)29-21(18)22(24)27/h4-6,8-10,19,25H,1,7H2,2-3H3
InChi Info:
AuxInfo=1/0/N:29,1,25,28,19,20,27,3,23,6,2,18,5,7,21,4,22,11,17,9,12,14,8,16,26,10,15,24,13/rA:29cCCCCCCCClCOCCOCONCCCCCCCOCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s16;s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18ClNO5
All Atoms:47
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.59549
Area:608.01
Solvation:-5.60477
Coulombic:-59.0681
Bond Count [?]
All:32
Single:22
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:411.835
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.39
LogP (Chemaxon):3.84

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Descriptor Annotations

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