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Chemical ID: 5313722

Chemical ID:

5313722

Name [?]:

N-[(6-acetamidobenzooxazol-2-yl)thiocarbamoyl]hexanamide

SMILES [?]:

CCCCCC(=O)NC(=S)Nc1nc2ccc(cc2o1)NC(=O)C

InChi [?]:

InChI=1/C16H20N4O3S/c1-3-4-5-6-14(22)19-16(24)20-15-18-12-8-7-11(17-10(2)21)9-13(12)23-15/h7-9H,3-6H2,1-2H3,(H,17,21)(H2,18,19,20,22,24)

InChi Info:

AuxInfo=1/1/N:1,24,2,3,4,5,16,15,18,22,17,14,19,6,12,9,21,13,8,11,23,7,20,10/rA:24nCCCCCCONCSNCNCCCCCCONCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s17;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₀N₄O₃S
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2839
Area:	577.964
Solvation:	-4.16524
Coulombic:	-65.3414

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	348.421
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	2.62
LogP (Chemaxon):	3.56

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