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Chemical ID: 4967444
Chemical ID:
4967444
Name [?]:
N-methyl-2-(p-tolyl)-4-(p-tolylsulfonyl)oxazol-5-amine
SMILES [?]:
Cc1ccc(cc1)c2nc(c(o2)NC)S(=O)(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C18H18N2O3S/c1-12-4-8-14(9-5-12)16-20-18(17(19-3)23-16)24(21,22)15-10-6-13(2)7-11-15/h4-11,19H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,14,3,7,20,22,4,6,19,23,2,21,5,18,8,11,10,13,9,16,17,12,15/E:(4,5)(6,7)(8,9)(10,11)(21,22)/CRV:24.6/rA:24nCCCCCCCCNCCONCSOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;s10;d15;d15;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7193 |
Area: | 547.205 |
Solvation: | -1.96082 |
Coulombic: | -35.6012 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.413 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.76 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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