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Chemical ID: 6008881

Chemical ID:

6008881

Name [?]:

N-(cyclopropylmethyl)-N-[(5-methylthiazol-2-yl)carbamoylmethyl]cyclohexanecarboxamide

SMILES [?]:

Cc1cnc(s1)NC(=O)CN(CC2CC2)C(=O)C3CCCCC3

InChi [?]:

InChI=1/C17H25N3O2S/c1-12-9-18-17(23-12)19-15(21)11-20(10-13-7-8-13)16(22)14-5-3-2-4-6-14/h9,13-14H,2-8,10-11H2,1H3,(H,18,19,21)

InChi Info:

AuxInfo=1/1/N:1,21,20,22,19,23,14,15,3,12,10,2,13,18,8,16,5,4,7,11,9,17,6/E:(3,4)(5,6)(7,8)/rA:23nCCCNCSNCOCNCCCCCOCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s13;s13s14;s11;d16;s16;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₅N₃O₂S
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.52826
Area:	548.152
Solvation:	-4.17554
Coulombic:	-40.8326

Bond Count [?]

All:	25
Single:	21
Double:	4
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	335.465
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.66
LogP (Chemaxon):	2.38

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