Chemical ID: 4896268

CCc1nnc(s1)N2C(c3c(=O)c4cc(ccc4oc3C2=O)Cl)c5cc(c(c(c5)OC)OC)OC
Chemical ID:
4896268
Name [?]:
None
SMILES [?]:
CCc1nnc(s1)N2C(c3c(=O)c4cc(ccc4oc3C2=O)Cl)c5cc(c(c(c5)OC)OC)OC
InChi [?]:
InChI=1/C24H20ClN3O6S/c1-5-17-26-27-24(35-17)28-19(11-8-15(31-2)21(33-4)16(9-11)32-3)18-20(29)13-10-12(25)6-7-14(13)34-22(18)23(28)30/h6-10,19H,5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,35,33,2,16,17,29,25,14,24,15,13,18,28,26,3,10,9,11,27,20,21,6,23,4,5,8,12,22,30,34,32,19,7/E:(2,3)(8,9)(15,16)(31,32)/rA:35cCCCNNCSNCCCOCCCCCCOCCOClCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s15;s9;s24;d25;s26;d27;d24s28;s28;s30;s27;s32;s26;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20ClN3O6S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:9.52929
Area:705.593
Solvation:-8.11053
Coulombic:-59.0864
Bond Count [?]
All:39
Single:28
Double:11
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:513.951
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.71
LogP (Chemaxon):2.93

Name Annotations

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Descriptor Annotations

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