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Chemical ID: 7082714
Chemical ID:
7082714
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2c5nccs5)Cl
InChi [?]:
InChI=1/C24H19ClN2O4S/c1-2-3-11-30-16-7-4-14(5-8-16)20-19-21(28)17-13-15(25)6-9-18(17)31-22(19)23(29)27(20)24-26-10-12-32-24/h4-10,12-13,20H,2-3,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,10,19,7,11,20,29,4,30,17,9,18,6,16,21,13,12,14,23,24,27,32,28,26,15,25,5,22,31/E:(4,5)(7,8)/rA:32cCCCCOCCCCCCCCCOCCCCCCOCCONCNCCSCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s12s24;s26;d27;s28;d29;s27s30;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19ClN2O4S |
All Atoms: | 51 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.0748 |
Area: | 675.724 |
Solvation: | -4.81831 |
Coulombic: | -47.9171 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 466.937 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.45 |
LogP (Chemaxon): | 5.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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