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Chemical ID: 6261024

COc1ccc(c(c1)OC)c2csc(n2)NC(=O)c3ccc(cc3)Oc4ccccc4

Chemical ID:

6261024

Name [?]:

N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]-4-phenoxy-benzamide

SMILES [?]:

COc1ccc(c(c1)OC)c2csc(n2)NC(=O)c3ccc(cc3)Oc4ccccc4

InChi [?]:

InChI=1/C24H20N2O4S/c1-28-19-12-13-20(22(14-19)29-2)21-15-31-24(25-21)26-23(27)16-8-10-18(11-9-16)30-17-6-4-3-5-7-17/h3-15H,1-2H3,(H,25,26,27)

InChi Info:

AuxInfo=1/1/N:1,10,29,28,30,27,31,20,24,21,23,4,5,8,12,19,26,22,3,6,11,7,17,14,15,16,18,2,9,25,13/E:(4,5)(6,7)(8,9)(10,11)/rA:31nCOCCCCCCOCCCSCNNCOCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀N₂O₄S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2548
Area:	656.77
Solvation:	-6.16446
Coulombic:	-49.7386

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	432.493
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.14
LogP (Chemaxon):	5.37

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value