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Chemical ID: 7020311
Chemical ID:
7020311
Name [?]:
4-(4-chlorophenyl)sulfonyl-N,N-dimethyl-2-(1-naphthyl)oxazol-5-amine
SMILES [?]:
CN(C)c1c(nc(o1)c2cccc3c2cccc3)S(=O)(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H17ClN2O3S/c1-24(2)21-20(28(25,26)16-12-10-15(22)11-13-16)23-19(27-21)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,16,11,18,12,15,10,24,26,23,27,13,25,22,14,9,7,5,4,28,6,2,20,21,8,19/E:(1,2)(10,11)(12,13)(25,26)/CRV:28.6/rA:28nCNCCCNCOCCCCCCCCCCSOOCCCCCCCl/rB:s1;s2;s2;d4;s5;d6;s4s7;s7;s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s5;d19;d19;s19;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17ClN2O3S |
All Atoms: | 45 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6224 |
Area: | 593.219 |
Solvation: | -2.20803 |
Coulombic: | -31.9477 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 412.89 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.69 |
LogP (Chemaxon): | 5.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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