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Chemical ID: 6403844
Chemical ID:
6403844
Name [?]:
2-[[4-(2,5-dimethoxyphenyl)-5-methyl-thiazol-2-yl]aminomethyl]phenol
SMILES [?]:
Cc1c(nc(s1)NCc2ccccc2O)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C19H20N2O3S/c1-12-18(15-10-14(23-2)8-9-17(15)24-3)21-19(25-12)20-11-13-6-4-5-7-16(13)22/h4-10,22H,11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,25,23,11,12,10,13,19,20,17,8,2,9,18,16,14,21,3,5,7,4,15,24,22,6/rA:25nCCCNCSNCCCCCCCOCCCCCCOCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s3;s16;d17;s18;d19;d16s20;s21;s22;s18;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99472 |
Area: | 575.039 |
Solvation: | -5.38126 |
Coulombic: | -48.8207 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 356.44 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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