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Chemical ID: 5940636

Chemical ID:

5940636

Name [?]:

N-butyl-2-[(butyl-(4-chlorobutanoyl)amino)methyl]thiazole-4-carboxamide

SMILES [?]:

CCCCNC(=O)c1csc(n1)CN(CCCC)C(=O)CCCCl

InChi [?]:

InChI=1/C17H28ClN3O2S/c1-3-5-10-19-17(23)14-13-24-15(20-14)12-21(11-6-4-2)16(22)8-7-9-18/h13H,3-12H2,1-2H3,(H,19,23)

InChi Info:

AuxInfo=1/1/N:1,18,2,17,3,16,22,21,23,4,15,13,9,8,11,19,6,24,5,12,14,20,7,10/rA:24nCCCCNCOCCSCNCNCCCCCOCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;s8d11;s11;s13;s14;s15;s16;s17;s14;d19;s19;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₈ClN₃O₂S
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	13.149
Area:	655.753
Solvation:	-3.24484
Coulombic:	-45.2733

Bond Count [?]

All:	24
Single:	20
Double:	4
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	373.942
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.15
LogP (Chemaxon):	2.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value