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Chemical ID: 7372520
Chemical ID:
7372520
Name [?]:
N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)-propanamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)CCc2cc(c(c(c2)OC)OC)OC)c3ccc(cc3)OC
InChi [?]:
InChI=1/C23H26N2O5S/c1-14-21(16-7-9-17(27-2)10-8-16)25-23(31-14)24-20(26)11-6-15-12-18(28-3)22(30-5)19(13-15)29-4/h7-10,12-13H,6,11H2,1-5H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,31,19,23,21,11,25,29,26,28,10,17,13,2,12,24,27,16,14,8,3,15,5,7,4,9,30,18,22,20,6/E:(3,4)(7,8)(9,10)(12,13)(18,19)(28,29)/rA:31nCCCNCSNCOCCCCCCCCOCOCOCCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s14;s22;s3;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O5S |
All Atoms: | 57 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.65115 |
Area: | 693.08 |
Solvation: | -8.67584 |
Coulombic: | -54.4804 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 442.529 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.92 |
LogP (Chemaxon): | 3.94 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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