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Chemical ID: 5945177

CCOC(=O)c1csc(n1)CN(CCCOC)C(=O)c2ccc(cc2)F

Chemical ID:

5945177

Name [?]:

ethyl 2-[[(4-fluorobenzoyl)-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylate

SMILES [?]:

CCOC(=O)c1csc(n1)CN(CCCOC)C(=O)c2ccc(cc2)F

InChi [?]:

InChI=1/C18H21FN2O4S/c1-3-25-18(23)15-12-26-16(20-15)11-21(9-4-10-24-2)17(22)13-5-7-14(19)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,17,2,14,21,25,22,24,13,15,11,7,20,23,6,9,18,4,26,10,12,19,5,16,3,8/E:(5,6)(7,8)/rA:26nCCOCOCCSCNCNCCCOCCOCCCCCCF/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6d9;s9;s11;s12;s13;s14;s15;s16;s12;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₁FN₂O₄S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	9.34388
Area:	608.366
Solvation:	-5.86527
Coulombic:	-54.5173

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	380.435
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.5
LogP (Chemaxon):	1.9

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value