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Chemical ID: 5287505
Chemical ID:
5287505
Name [?]:
None
SMILES [?]:
CC(C)Cc1nnc(s1)N2C(c3c(=O)c4cc(ccc4oc3C2=O)Cl)c5ccc(cc5)OC
InChi [?]:
InChI=1/C24H20ClN3O4S/c1-12(2)10-18-26-27-24(33-18)28-20(13-4-7-15(31-3)8-5-13)19-21(29)16-11-14(25)6-9-17(16)32-22(19)23(28)30/h4-9,11-12,20H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,33,27,31,18,28,30,19,4,16,2,26,17,29,15,20,5,12,11,13,22,23,8,25,6,7,10,14,24,32,21,9/E:(1,2)(4,5)(7,8)/rA:33cCCCCCNNCSNCCCOCCCCCCOCCOClCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;s5s8;s8;s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s10s22;d23;s17;s11;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20ClN3O4S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.3791 |
Area: | 687.245 |
Solvation: | -4.802 |
Coulombic: | -46.6809 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 481.952 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.36 |
LogP (Chemaxon): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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