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Chemical ID: 7082202
Chemical ID:
7082202
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nccs4)c5ccc(cc5)OC
InChi [?]:
InChI=1/C23H18N2O4S/c1-12-10-16-17(11-13(12)2)29-21-18(20(16)26)19(14-4-6-15(28-3)7-5-14)25(22(21)27)23-24-8-9-30-23/h4-11,19H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,30,24,28,25,27,20,21,3,6,2,7,23,26,4,5,11,14,12,10,16,18,19,15,13,17,29,9,22/E:(4,5)(6,7)/rA:30cCCCCCCCCOCCCOCNCOCNCCSCCCCCCOC/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;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18N2O4S |
All Atoms: | 48 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2546 |
Area: | 603.226 |
Solvation: | -4.82604 |
Coulombic: | -46.9484 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 418.466 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.35 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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