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Chemical ID: 6007482

Chemical ID:

6007482

Name [?]:

N-[(5-methylthiazol-2-yl)carbamoylmethyl]-N-pentyl-cyclobutanecarboxamide

SMILES [?]:

CCCCCN(CC(=O)Nc1ncc(s1)C)C(=O)C2CCC2

InChi [?]:

InChI=1/C16H25N3O2S/c1-3-4-5-9-19(15(21)13-7-6-8-13)11-14(20)18-16-17-10-12(2)22-16/h10,13H,3-9,11H2,1-2H3,(H,17,18,20)

InChi Info:

AuxInfo=1/1/N:1,16,2,3,4,21,20,22,5,13,7,14,19,8,17,11,12,10,6,9,18,15/E:(7,8)/rA:22nCCCCCNCCONCNCCSCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s6;d17;s17;s19;s20;s19s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₅N₃O₂S
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.87933
Area:	556.262
Solvation:	-4.02721
Coulombic:	-41.335

Bond Count [?]

All:	23
Single:	19
Double:	4
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	323.455
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.71
LogP (Chemaxon):	2.48

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