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Chemical ID: 6154549

Cc1c(nc(s1)NC(=O)C=Cc2ccc(cc2)OCc3ccccc3)c4ccccc4

Chemical ID:

6154549

Name [?]:

3-(4-benzyloxyphenyl)-N-(5-methyl-4-phenyl-thiazol-2-yl)-prop-2-enamide

SMILES [?]:

Cc1c(nc(s1)NC(=O)C=Cc2ccc(cc2)OCc3ccccc3)c4ccccc4

InChi [?]:

InChI=1/C26H22N2O2S/c1-19-25(22-10-6-3-7-11-22)28-26(31-19)27-24(29)17-14-20-12-15-23(16-13-20)30-18-21-8-4-2-5-9-21/h2-17H,18H2,1H3,(H,27,28,29)

InChi Info:

AuxInfo=1/1/N:1,23,29,22,24,28,30,21,25,27,31,13,17,11,14,16,10,19,2,12,20,26,15,8,3,5,7,4,9,18,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)/rA:31nCCCNCSNCOCCCCCCCCOCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s15;s18;s19;s20;d21;s22;d23;d20s24;s3;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂N₂O₂S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4227
Area:	671.411
Solvation:	-4.36258
Coulombic:	-38.0648

Bond Count [?]

All:	34
Single:	21
Double:	13
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	426.531
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.58
LogP (Chemaxon):	6.56

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value