Chemical ID: 7382029

Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)OC)Cc5cccnc5
Chemical ID:
7382029
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)OC)Cc5cccnc5
InChi [?]:
InChI=1/C25H19ClN2O4/c1-14-10-20-18(11-19(14)26)23(29)21-22(16-5-7-17(31-2)8-6-16)28(25(30)24(21)32-20)13-15-4-3-9-27-12-15/h3-12,22H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,29,28,19,23,20,22,30,3,6,32,26,2,27,18,21,5,7,4,11,17,9,12,14,8,31,16,10,15,24,13/E:(5,6)(7,8)/rA:32cCCCCCCCClCOCCOCONCCCCCCCOCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s16;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H19ClN2O4
All Atoms:51
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.0323
Area:649.543
Solvation:-5.20629
Coulombic:-46.7805
Bond Count [?]
All:36
Single:24
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:446.882
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.64
LogP (Chemaxon):3.85

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Descriptor Annotations

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