Chemical ID: 5275024

Cc1c(sc(n1)N2C(c3c(=O)c4cc(ccc4oc3C2=O)Cl)c5cccc(c5)OCC=C)C
Chemical ID:
5275024
Name [?]:
None
SMILES [?]:
Cc1c(sc(n1)N2C(c3c(=O)c4cc(ccc4oc3C2=O)Cl)c5cccc(c5)OCC=C)C
InChi [?]:
InChI=1/C25H19ClN2O4S/c1-4-10-31-17-7-5-6-15(11-17)21-20-22(29)18-12-16(26)8-9-19(18)32-23(20)24(30)28(21)25-27-13(2)14(3)33-25/h4-9,11-12,21H,1,10H2,2-3H3
InChi Info:
AuxInfo=1/0/N:32,1,33,31,25,24,26,15,16,30,28,13,2,3,23,14,27,12,17,9,8,10,19,20,5,22,6,7,11,21,29,18,4/rA:33cCCCSCNNCCCOCCCCCCOCCOClCCCCCCOCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s14;s8;s23;d24;s25;d26;d23s27;s27;s29;s30;d31;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H19ClN2O4S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.3398
Area:687.869
Solvation:-4.85693
Coulombic:-48.794
Bond Count [?]
All:37
Single:25
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:478.948
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.11
LogP (Chemaxon):4.77

Name Annotations

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Descriptor Annotations

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