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Chemical ID: 5945321

Chemical ID:

5945321

Name [?]:

ethyl 2-[[(2-fluorobenzoyl)-(2-methoxyethyl)amino]methyl]thiazole-4-carboxylate

SMILES [?]:

CCOC(=O)c1csc(n1)CN(CCOC)C(=O)c2ccccc2F

InChi [?]:

InChI=1/C17H19FN2O4S/c1-3-24-17(22)14-11-25-15(19-14)10-20(8-9-23-2)16(21)12-6-4-5-7-13(12)18/h4-7,11H,3,8-10H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,16,2,21,22,20,23,13,14,11,7,19,24,6,9,17,4,25,10,12,18,5,15,3,8/rA:25nCCOCOCCSCNCNCCOCCOCCCCCCF/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6d9;s9;s11;s12;s13;s14;s15;s12;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉FN₂O₄S
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	6.96377
Area:	537.022
Solvation:	-6.46178
Coulombic:	-53.5613

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	366.408
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.14
LogP (Chemaxon):	1.84

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