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Chemical ID: 6181615

Chemical ID:

6181615

Name [?]:

N-(5-phenyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide

SMILES [?]:

c1ccc(cc1)c2nnc(s2)NC(=O)c3ccc4ccccc4c3

InChi [?]:

InChI=1/C19H13N3OS/c23-17(16-11-10-13-6-4-5-9-15(13)12-16)20-19-22-21-18(24-19)14-7-2-1-3-8-14/h1-12H,(H,20,22,23)

InChi Info:

AuxInfo=1/1/N:1,2,6,20,21,19,3,5,22,17,16,24,18,4,23,15,13,7,10,12,8,9,14,11/E:(2,3)(7,8)/rA:24nCCCCCCCNNCSNCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₃N₃OS
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7191
Area:	541.809
Solvation:	-2.82614
Coulombic:	-29.2654

Bond Count [?]

All:	27
Single:	16
Double:	11
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	331.392
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.45
LogP (Chemaxon):	4.32

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value