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Chemical ID: 7193406

c1ccc(cc1)C=CC[NH+]2CCN(CC2)S(=O)(=O)c3ccc4ccccc4c3

Chemical ID:

7193406

Name [?]:

1-cinnamyl-4-(2-naphthylsulfonyl)-2,3,5,6-tetrahydropyrazine

SMILES [?]:

c1ccc(cc1)C=CC[NH+]2CCN(CC2)S(=O)(=O)c3ccc4ccccc4c3

InChi [?]:

InChI=1/C23H24N2O2S/c26-28(27,23-13-12-21-10-4-5-11-22(21)19-23)25-17-15-24(16-18-25)14-6-9-20-7-2-1-3-8-20/h1-13,19H,14-18H2/p+1

InChi Info:

AuxInfo=1/1/N:1,2,6,24,25,8,3,5,7,23,26,21,20,9,11,15,12,14,28,4,22,27,19,10,13,17,18,16/E:(2,3)(7,8)(15,16)(17,18)(26,27)/CRV:28.6/rA:28nCCCCCCCCCN+CCNCCSOOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;s10;s11;s12;s13;s10s14;s13;d16;d16;s16;s19;d20;s21;s22;d23;s24;d25;d22s26;d19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅N₂O₂S+
All Atoms:	53
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	-18.4172
Area:	616.722
Solvation:	-33.8353
Coulombic:	20.961

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	5
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	393.523
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.33
LogP (Chemaxon):	4.29

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