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Chemical ID: 7423743

CC(C)C(=O)N=C1N(C2CS(=O)(=O)CC2S1)Cc3ccc(cc3)F

Chemical ID:

7423743

Name [?]:

N-[8-[(4-fluorophenyl)methyl]-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene]-2-methyl-propanamide

SMILES [?]:

CC(C)C(=O)N=C1N(C2CS(=O)(=O)CC2S1)Cc3ccc(cc3)F

InChi [?]:

InChI=1/C16H19FN2O3S2/c1-10(2)15(20)18-16-19(7-11-3-5-12(17)6-4-11)13-8-24(21,22)9-14(13)23-16/h3-6,10,13-14H,7-9H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,19,23,20,22,17,10,14,2,18,21,9,15,4,7,24,6,8,5,12,13,16,11/E:(1,2)(3,4)(5,6)(21,22)/CRV:24.6/rA:24cCCCCONCNCCSOOCCSCCCCCCCF/rB:s1;s2;s2;d4;s4;w6;s7;s8;s9;s10;d11;d11;s11;s9s14;s7s15;s8;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₉FN₂O₃S₂
All Atoms:	43
Heavy Atoms:	24
Chiral Atoms:	2

ZAP Information [?]

Total:	7.68587
Area:	505.682
Solvation:	-4.95618
Coulombic:	-27.8526

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	4
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	370.464
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.61
LogP (Chemaxon):	2.51

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