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Chemical ID: 4228618
Chemical ID:
4228618
Name [?]:
4-(4-methoxyphenyl)-2-phenyl-thiazole
SMILES [?]:
COc1ccc(cc1)c2csc(n2)c3ccccc3
InChi [?]:
InChI=1/C16H13NOS/c1-18-14-9-7-12(8-10-14)15-11-19-16(17-15)13-5-3-2-4-6-13/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,5,7,4,8,10,6,14,3,9,12,13,2,11/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCOCCCCCCCCSCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13NOS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.07354 |
Area: | 464.894 |
Solvation: | -2.54881 |
Coulombic: | -16.0188 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 267.347 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.31 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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