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Chemical ID: 6007149

Chemical ID:

6007149

Name [?]:

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

SMILES [?]:

CCOCCCN(CC(=O)Nc1nc(cs1)C)C(=O)c2ccccc2

InChi [?]:

InChI=1/C18H23N3O3S/c1-3-24-11-7-10-21(17(23)15-8-5-4-6-9-15)12-16(22)20-18-19-14(2)13-25-18/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,19,20,22)

InChi Info:

AuxInfo=1/1/N:1,17,2,23,22,24,5,21,25,6,4,8,15,14,20,9,18,12,13,11,7,10,19,3,16/E:(5,6)(8,9)/rA:25nCCOCCCNCCONCNCCSCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s7;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₃N₃O₃S
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.78767
Area:	597.615
Solvation:	-5.15271
Coulombic:	-50.9344

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	11
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	361.46
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.02
LogP (Chemaxon):	1.93

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