Chemical ID: 7412208

Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)CCc5ccc(c(c5)OC)OC
Chemical ID:
7412208
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)CCc5ccc(c(c5)OC)OC
InChi [?]:
InChI=1/C28H24ClNO6/c1-15-11-22-19(14-20(15)29)26(32)24-25(17-5-4-6-18(31)13-17)30(28(33)27(24)36-22)10-9-16-7-8-21(34-2)23(12-16)35-3/h4-8,11-14,25,31H,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,36,34,20,19,21,28,29,26,25,3,32,23,6,2,27,18,22,5,7,30,4,31,11,17,9,12,14,8,16,24,10,15,35,33,13/rA:36cCCCCCCCClCOCCOCONCCCCCCCOCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s16;s25;s26;s27;d28;s29;d30;d27s31;s31;s33;s30;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H24ClNO6
All Atoms:60
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:10.559
Area:737.781
Solvation:-7.88557
Coulombic:-65.1502
Bond Count [?]
All:40
Single:28
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:505.946
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.29
LogP (Chemaxon):4.88

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