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Chemical ID: 6000943

Chemical ID:

6000943

Name [?]:

2-[butyl-(2-phenoxyacetyl)-amino]-N-(4-methylthiazol-2-yl)-acetamide

SMILES [?]:

CCCCN(CC(=O)Nc1nc(cs1)C)C(=O)COc2ccccc2

InChi [?]:

InChI=1/C18H23N3O3S/c1-3-4-10-21(11-16(22)20-18-19-14(2)13-25-18)17(23)12-24-15-8-6-5-7-9-15/h5-9,13H,3-4,10-12H2,1-2H3,(H,19,20,22)

InChi Info:

AuxInfo=1/1/N:1,15,2,3,23,22,24,21,25,4,6,18,13,12,20,7,16,10,11,9,5,8,17,19,14/E:(6,7)(8,9)/rA:25nCCCCNCCONCNCCSCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s5;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₃N₃O₃S
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.4239
Area:	606.404
Solvation:	-5.73621
Coulombic:	-49.7664

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	11
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	361.46
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.46
LogP (Chemaxon):	2.68

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value