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Chemical ID: 4484233
Chemical ID:
4484233
Name [?]:
N-[4-(4-methoxyphenyl)thiazol-2-yl]-3-phenyl-propanamide
SMILES [?]:
COc1ccc(cc1)c2csc(n2)NC(=O)CCc3ccccc3
InChi [?]:
InChI=1/C19H18N2O2S/c1-23-16-10-8-15(9-11-16)17-13-24-19(20-17)21-18(22)12-7-14-5-3-2-4-6-14/h2-6,8-11,13H,7,12H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,20,24,18,5,7,4,8,17,10,19,6,3,9,15,12,13,14,16,2,11/E:(3,4)(5,6)(8,9)(10,11)/rA:24nCOCCCCCCCCSCNNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2389 |
Area: | 567.059 |
Solvation: | -3.93757 |
Coulombic: | -34.7909 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 338.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.72 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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