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Chemical ID: 5839825

c1ccc(cc1)C(=O)N2CCc3c(sc4c3c(=O)n(c(n4)NN)C5CCCCC5)C2

Chemical ID:

5839825

Name [?]:

None

SMILES [?]:

c1ccc(cc1)C(=O)N2CCc3c(sc4c3c(=O)n(c(n4)NN)C5CCCCC5)C2

InChi [?]:

InChI=1/C22H25N5O2S/c23-25-22-24-19-18(21(29)27(22)15-9-5-2-6-10-15)16-11-12-26(13-17(16)30-19)20(28)14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,23H2,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,27,2,6,26,28,3,5,25,29,11,10,30,4,24,12,13,16,15,7,17,20,23,21,22,9,19,8,18,14/E:(3,4)(5,6)(7,8)(9,10)/rA:30nCCCCCCCONCCCCSCCCONCNNNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;d12;s13;s14;s12d15;s16;d17;s17;s19;s15d20;s20;s22;s19;s24;s25;s26;s27;s24s28;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₅N₅O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1192
Area:	613.389
Solvation:	-3.2155
Coulombic:	-60.1197

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	423.532
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	1.91
LogP (Chemaxon):	3.31

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