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Chemical ID: 6007193

Chemical ID:

6007193

Name [?]:

N-(3-ethoxypropyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]cyclopentanecarboxamide

SMILES [?]:

CCOCCCN(CC(=O)Nc1nc(cs1)C)C(=O)C2CCCC2

InChi [?]:

InChI=1/C17H27N3O3S/c1-3-23-10-6-9-20(16(22)14-7-4-5-8-14)11-15(21)19-17-18-13(2)12-24-17/h12,14H,3-11H2,1-2H3,(H,18,19,21)

InChi Info:

AuxInfo=1/1/N:1,17,2,22,23,5,21,24,6,4,8,15,14,20,9,18,12,13,11,7,10,19,3,16/E:(4,5)(7,8)/rA:24nCCOCCCNCCONCNCCSCCOCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s7;d18;s18;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₇N₃O₃S
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.49833
Area:	591.986
Solvation:	-5.30131
Coulombic:	-48.3418

Bond Count [?]

All:	25
Single:	21
Double:	4
Rotors:	11
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	353.481
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.65
LogP (Chemaxon):	1.68

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value