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Chemical ID: 7743690

CN(C)CCNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c2ccc(cc2)F

Chemical ID:

7743690

Name [?]:

None

SMILES [?]:

CN(C)CCNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c2ccc(cc2)F

InChi [?]:

InChI=1/C18H22FN3O4S2/c1-22(2)10-9-20-17(23)18(24)21-12-16(15-4-3-11-27-15)28(25,26)14-7-5-13(19)6-8-14/h3-8,11,16H,9-10,12H2,1-2H3,(H,20,23)(H,21,24)

InChi Info:

AuxInfo=1/1/N:1,3,16,15,24,26,23,27,5,4,17,12,25,22,14,13,7,9,28,6,11,2,8,10,20,21,18,19/E:(1,2)(5,6)(7,8)(25,26)/CRV:28.6/rA:28cCNCCCNCOCONCCCCCCSSOOCCCCCCF/rB:s1;s2;s2;s4;s5;s6;d7;s7;d9;s9;s11;s12;s13;d14;s15;d16;s14s17;s13;d19;d19;s19;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₂FN₃O₄S₂
All Atoms:	50
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	10.5593
Area:	631.176
Solvation:	-5.22007
Coulombic:	-59.1255

Bond Count [?]

All:	29
Single:	20
Double:	9
Rotors:	11
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.62
LogP (Chemaxon):	None

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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