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Chemical ID: 5940034

CCCCC(CC)C(=O)Nc1cccc(c1)c2csc(n2)Nc3ccc(cc3)OC

Chemical ID:

5940034

Name [?]:

2-ethyl-N-[3-[2-(4-methoxyphenyl)aminothiazol-4-yl]phenyl]-hexanamide

SMILES [?]:

CCCCC(CC)C(=O)Nc1cccc(c1)c2csc(n2)Nc3ccc(cc3)OC

InChi [?]:

InChI=1/C24H29N3O2S/c1-4-6-8-17(5-2)23(28)25-20-10-7-9-18(15-20)22-16-30-24(27-22)26-19-11-13-21(29-3)14-12-19/h7,9-17H,4-6,8H2,1-3H3,(H,25,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,7,30,2,6,3,13,4,14,12,24,28,25,27,16,18,5,15,23,11,26,17,8,20,10,22,21,9,29,19/E:(11,12)(13,14)/rA:30cCCCCCCCCONCCCCCCCCSCNNCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s18;s19;s17d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₉N₃O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	13.0359
Area:	688.749
Solvation:	-4.18285
Coulombic:	-46.8508

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	423.572
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	6.06
LogP (Chemaxon):	6.49

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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