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Chemical ID: 3891221

Chemical ID:

3891221

Name [?]:

3-chloro-N-ethyl-N-[4-(4-fluorophenyl)thiazol-2-yl]-propanamide

SMILES [?]:

CCN(c1nc(cs1)c2ccc(cc2)F)C(=O)CCCl

InChi [?]:

InChI=1/C14H14ClFN2OS/c1-2-18(13(19)7-8-15)14-17-12(9-20-14)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,10,14,11,13,18,19,7,9,12,6,16,4,20,15,5,3,17,8/E:(3,4)(5,6)/rA:20nCCNCNCCSCCCCCCFCOCCCl/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;d10;s11;d12;d9s13;s12;s3;d16;s16;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄ClFN₂OS
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.8355
Area:	494.829
Solvation:	-3.53522
Coulombic:	-25.6484

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	312.791
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.43
LogP (Chemaxon):	3.74

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value