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Chemical ID: 7258841
Chemical ID:
7258841
Name [?]:
2-[(3,4-dimethylphenyl)sulfonyl-(1-naphthyl)amino]-N-(2-methoxy-1-methyl-ethyl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)S(=O)(=O)N(CC(=O)NC(C)COC)c2cccc3c2cccc3
InChi [?]:
InChI=1/C24H28N2O4S/c1-17-12-13-21(14-18(17)2)31(28,29)26(15-24(27)25-19(3)16-30-4)23-11-7-9-20-8-5-6-10-22(20)23/h5-14,19H,15-16H2,1-4H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,8,18,21,30,29,24,31,25,28,23,3,4,6,13,19,2,7,17,26,5,27,22,14,16,12,15,10,11,20,9/E:(28,29)/CRV:31.6/rA:31cCCCCCCCCSOONCCONCCCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s13;d14;s14;s16;s17;s17;s19;s20;s12;s22;d23;s24;d25;d22s26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N2O4S |
All Atoms: | 59 |
Heavy Atoms: | 31 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.0068 |
Area: | 639.679 |
Solvation: | -4.98514 |
Coulombic: | -38.1964 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 440.556 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.86 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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