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Chemical ID: 6762748
Chemical ID:
6762748
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nccs4)c5ccc(c(c5)OC)OC
InChi [?]:
InChI=1/C24H20N2O5S/c1-12-9-15-17(10-13(12)2)31-22-19(21(15)27)20(26(23(22)28)24-25-7-8-32-24)14-5-6-16(29-3)18(11-14)30-4/h5-11,20H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,32,30,24,25,20,21,3,6,28,2,7,23,4,26,5,27,11,14,12,10,16,18,19,15,13,17,31,29,9,22/rA:32cCCCCCCCCOCCCOCNCOCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;d18;s19;d20;s18s21;s14;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N2O5S |
All Atoms: | 52 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.95132 |
Area: | 635.083 |
Solvation: | -6.92575 |
Coulombic: | -53.0713 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 448.492 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.99 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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