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Chemical ID: 6148008

c1ccc2cc(ccc2c1)c3csc4c3c(=O)n(cn4)CC(=O)Nc5cc(ccc5Cl)Cl

Chemical ID:

6148008

Name [?]:

N-(2,5-dichlorophenyl)-2-[7-(2-naphthyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]-acetamide

SMILES [?]:

c1ccc2cc(ccc2c1)c3csc4c3c(=O)n(cn4)CC(=O)Nc5cc(ccc5Cl)Cl

InChi [?]:

InChI=1/C24H15Cl2N3O2S/c25-17-7-8-19(26)20(10-17)28-21(30)11-29-13-27-23-22(24(29)31)18(12-32-23)16-6-5-14-3-1-2-4-15(14)9-16/h1-10,12-13H,11H2,(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,2,10,3,8,7,28,29,5,26,21,12,19,9,4,6,27,11,30,25,22,15,14,16,32,31,20,24,18,23,17,13/rA:32nCCCCCCCCCCCCSCCCONCNCCONCCCCCCClCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;s12;s13;s11d14;s15;d16;s16;s18;s14d19;s18;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₅Cl₂N₃O₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	13.1866
Area:	676.292
Solvation:	-3.72068
Coulombic:	-45.0656

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	480.366
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.3
LogP (Chemaxon):	5.12

Name Annotations

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

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