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Chemical ID: 3855986

Chemical ID:

3855986

Name [?]:

N-isobutyl-N-[4-(4-methoxyphenyl)thiazol-2-yl]-propanamide

SMILES [?]:

CCC(=O)N(CC(C)C)c1nc(cs1)c2ccc(cc2)OC

InChi [?]:

InChI=1/C17H22N2O2S/c1-5-16(20)19(10-12(2)3)17-18-15(11-22-17)13-6-8-14(21-4)9-7-13/h6-9,11-12H,5,10H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,8,9,22,2,16,20,17,19,6,13,7,15,18,12,3,10,11,5,4,21,14/E:(2,3)(6,7)(8,9)/rA:22nCCCONCCCCCNCCSCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;s7;s7;s5;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₂N₂O₂S
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.84583
Area:	521.658
Solvation:	-3.19561
Coulombic:	-30.5996

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	318.435
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.5
LogP (Chemaxon):	4.07

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