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Chemical ID: 7291817
Chemical ID:
7291817
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c(co3)CC(=O)Nc4ccc(cc4)S(=O)(=O)N5CCCC5
InChi [?]:
InChI=1/C24H22N2O4S/c27-23(15-18-16-30-22-12-7-17-5-1-2-6-21(17)24(18)22)25-19-8-10-20(11-9-19)31(28,29)26-13-3-4-14-26/h1-2,5-12,16H,3-4,13-15H2,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,29,30,6,3,7,19,23,20,22,8,28,31,14,12,5,11,18,21,4,9,15,10,17,27,16,25,26,13,24/E:(3,4)(8,9)(10,11)(13,14)(28,29)/CRV:31.6/rA:31nCCCCCCCCCCCCOCCONCCCCCCSOONCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;d24;d24;s24;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2O4S |
All Atoms: | 53 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0628 |
Area: | 640.041 |
Solvation: | -4.93825 |
Coulombic: | -34.3132 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 434.509 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.63 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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