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Chemical ID: 6266701
Chemical ID:
6266701
Name [?]:
3,5-dimethoxy-N-[4-(3-methoxyphenyl)thiazol-2-yl]-benzamide
SMILES [?]:
COc1cccc(c1)c2csc(n2)NC(=O)c3cc(cc(c3)OC)OC
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-14-6-4-5-12(7-14)17-11-26-19(20-17)21-18(22)13-8-15(24-2)10-16(9-13)25-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,26,5,6,4,8,22,18,20,10,7,17,3,21,19,9,15,12,13,14,16,2,23,25,11/E:(2,3)(8,9)(15,16)(24,25)/rA:26nCOCCCCCCCCSCNNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s19;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.35436 |
Area: | 586.489 |
Solvation: | -6.30787 |
Coulombic: | -47.953 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 370.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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