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Chemical ID: 5940766

Chemical ID:

5940766

Name [?]:

2-[(cyclopropylcarbonyl-(3-methoxypropyl)amino)methyl]-N-(3-methoxypropyl)thiazole-4-carboxamide

SMILES [?]:

COCCCNC(=O)c1csc(n1)CN(CCCOC)C(=O)C2CC2

InChi [?]:

InChI=1/C17H27N3O4S/c1-23-9-3-7-18-16(21)14-12-25-15(19-14)11-20(8-4-10-24-2)17(22)13-5-6-13/h12-13H,3-11H2,1-2H3,(H,18,21)

InChi Info:

AuxInfo=1/1/N:1,20,4,17,24,25,5,16,3,18,14,10,23,9,12,7,21,6,13,15,8,22,2,19,11/E:(5,6)/rA:25nCOCCCNCOCCSCNCNCCCOCCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;s11;s9d12;s12;s14;s15;s16;s17;s18;s19;s15;d21;s21;s23;s23s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₇N₃O₄S
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.54093
Area:	620.538
Solvation:	-5.97252
Coulombic:	-58.7113

Bond Count [?]

All:	26
Single:	22
Double:	4
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	369.48
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	0.04
LogP (Chemaxon):	-0.39

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