Chemical ID: 7082208

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nc(c(s4)C)C)c5ccc(cc5)C(=O)OC
Chemical ID:
7082208
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nc(c(s4)C)C)c5ccc(cc5)C(=O)OC
InChi [?]:
InChI=1/C26H22N2O5S/c1-12-10-18-19(11-13(12)2)33-23-20(22(18)29)21(16-6-8-17(9-7-16)25(31)32-5)28(24(23)30)26-27-14(3)15(4)34-26/h6-11,21H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,24,23,34,26,30,27,29,3,6,2,7,20,21,25,28,4,5,11,14,12,10,16,31,18,19,15,13,17,32,33,9,22/E:(6,7)(8,9)/rA:34cCCCCCCCCOCCCOCNCOCNCCSCCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;d18;s19;d20;s18s21;s21;s20;s14;s25;d26;s27;d28;d25s29;s28;d31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H22N2O5S
All Atoms:56
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.9549
Area:687.989
Solvation:-4.24486
Coulombic:-59.733
Bond Count [?]
All:38
Single:26
Double:12
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:474.529
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.77
LogP (Chemaxon):4.25

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Descriptor Annotations

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