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Chemical ID: 7290024

CC(C(=O)Nc1nc(cs1)c2ccccc2)Oc3cc(ccc3[N+](=O)[O-])F

Chemical ID:

7290024

Name [?]:

2-(5-fluoro-2-nitro-phenoxy)-N-(4-phenylthiazol-2-yl)-propanamide

SMILES [?]:

CC(C(=O)Nc1nc(cs1)c2ccccc2)Oc3cc(ccc3[N+](=O)[O-])F

InChi [?]:

InChI=1/C18H14FN3O4S/c1-11(26-16-9-13(19)7-8-15(16)22(24)25)17(23)21-18-20-14(10-27-18)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21,23)

InChi Info:

AuxInfo=1/1/N:1,14,13,15,12,16,21,22,19,9,2,11,20,8,23,18,3,6,27,7,5,24,4,25,26,17,10/E:(3,4)(5,6)(24,25)/CRV:22.5/rA:27cCCCONCNCCSCCCCCCOCCCCCCN+OO-F/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s2;s17;s18;d19;s20;d21;d18s22;s23;d24;s24;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₄FN₃O₄S
All Atoms:	41
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	0.981681
Area:	577.777
Solvation:	-13.4628
Coulombic:	-45.1603

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	387.386
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.97
LogP (Chemaxon):	4.85

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