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Chemical ID: 7403625

Cc1ccc(cc1)C2C3=C(CC(CC3=O)c4ccccc4)Nc5ccccc5S2

Chemical ID:

7403625

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)C2C3=C(CC(CC3=O)c4ccccc4)Nc5ccccc5S2

InChi [?]:

InChI=1/C26H23NOS/c1-17-11-13-19(14-12-17)26-25-22(27-21-9-5-6-10-24(21)29-26)15-20(16-23(25)28)18-7-3-2-4-8-18/h2-14,20,26-27H,15-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,19,18,20,25,26,17,21,24,27,3,7,4,6,11,13,2,16,5,12,23,10,14,28,9,8,22,15,29/E:(3,4)(7,8)(11,12)(13,14)/rA:29cCCCCCCCCCCCCCCOCCCCCCNCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;s12;s9s13;d14;s12;s16;d17;s18;d19;d16s20;s10;s22;s23;d24;s25;d26;d23s27;s8s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃NOS
All Atoms:	52
Heavy Atoms:	29
Chiral Atoms:	2

ZAP Information [?]

Total:	12.1855
Area:	588.108
Solvation:	-2.51724
Coulombic:	-23.0772

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	397.533
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.53
LogP (Chemaxon):	5.82

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

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Chemical Mix	Source	External ID	Descriptor	Value