ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7730385

Chemical ID:

7730385

Name [?]:

None

SMILES [?]:

CCc1ccc(cc1)NC(=O)CSc2[nH]c(=O)c(nn2)C

InChi [?]:

InChI=1/C14H16N4O2S/c1-3-10-4-6-11(7-5-10)15-12(19)8-21-14-16-13(20)9(2)17-18-14/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,18,20)

InChi Info:

AuxInfo=1/1/N:1,21,2,4,8,5,7,12,18,3,6,10,16,14,9,15,19,20,11,17,13/E:(4,5)(6,7)/rA:21nCCCCCCCCNCOCSCNCOCNNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;d16;s16;d18;d14s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₆N₄O₂S
All Atoms:	37
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	9.78946
Area:	516.244
Solvation:	-3.11664
Coulombic:	-45.8719

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.39
LogP (Chemaxon):	None

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