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Chemical ID: 6432466
Chemical ID:
6432466
Name [?]:
2-(4-fluorophenyl)-N,N-dimethyl-4-(p-tolylsulfonyl)oxazol-5-amine
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)c2c(oc(n2)c3ccc(cc3)F)N(C)C
InChi [?]:
InChI=1/C18H17FN2O3S/c1-12-4-10-15(11-5-12)25(22,23)17-18(21(2)3)24-16(20-17)13-6-8-14(19)9-7-13/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,25,3,7,17,21,18,20,4,6,2,16,19,5,14,11,12,22,15,23,9,10,13,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(22,23)/CRV:25.6/rA:25nCCCCCCCSOOCCOCNCCCCCCFNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;d11;s12;s13;s11d14;s14;s16;d17;s18;d19;d16s20;s19;s12;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17FN2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3936 |
Area: | 540.925 |
Solvation: | -3.12954 |
Coulombic: | -33.5829 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 360.404 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.4 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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