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Chemical ID: 6008957

Chemical ID:

6008957

Name [?]:

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

SMILES [?]:

Cc1csc(n1)NC(=O)CN(CCCOC)C(=O)c2ccccc2F

InChi [?]:

InChI=1/C17H20FN3O3S/c1-12-11-25-17(19-12)20-15(22)10-21(8-5-9-24-2)16(23)13-6-3-4-7-14(13)18/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,19,20,22)

InChi Info:

AuxInfo=1/1/N:1,16,21,22,13,20,23,12,14,10,3,2,19,24,8,17,5,25,6,7,11,9,18,15,4/rA:25nCCCSCNNCOCNCCCOCCOCCCCCCF/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s11;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₀FN₃O₃S
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	7.43305
Area:	577.189
Solvation:	-6.99667
Coulombic:	-52.5385

Bond Count [?]

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

Chemical Properties

Molecular Weight:	365.424
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.76
LogP (Chemaxon):	1.73

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