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Chemical ID: 6001102

Chemical ID:

6001102

Name [?]:

N-butyl-3-methoxy-N-(thiazol-2-ylcarbamoylmethyl)benzamide

SMILES [?]:

CCCCN(CC(=O)Nc1nccs1)C(=O)c2cccc(c2)OC

InChi [?]:

InChI=1/C17H21N3O3S/c1-3-4-9-20(12-15(21)19-17-18-8-10-24-17)16(22)13-6-5-7-14(11-13)23-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,18,19,21)

InChi Info:

AuxInfo=1/1/N:1,24,2,3,19,18,20,12,4,13,22,6,17,21,7,15,10,11,9,5,8,16,23,14/rA:24nCCCCNCCONCNCCSCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s5;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₁N₃O₃S
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.7422
Area:	568.95
Solvation:	-5.48155
Coulombic:	-49.3916

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	347.433
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.14
LogP (Chemaxon):	2.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value