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Chemical ID: 7690976

CCOC(=O)c1c2c(sc1NC(=O)c3cc(nn3C)C(=O)N4CCOCC4)CCCCC2

Chemical ID:

7690976

Name [?]:

None

SMILES [?]:

CCOC(=O)c1c2c(sc1NC(=O)c3cc(nn3C)C(=O)N4CCOCC4)CCCCC2

InChi [?]:

InChI=1/C22H28N4O5S/c1-3-31-22(29)18-14-7-5-4-6-8-17(14)32-20(18)23-19(27)16-13-15(24-25(16)2)21(28)26-9-11-30-12-10-26/h13H,3-12H2,1-2H3,(H,23,27)

InChi Info:

AuxInfo=1/1/N:1,19,2,30,31,29,32,28,23,27,24,26,15,7,16,14,8,6,12,10,20,4,11,17,18,22,13,21,5,25,3,9/E:(9,10)(11,12)/rA:32nCCOCOCCCSCNCOCCCNNCCONCCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s10;s11;d12;s12;d14;s15;d16;s14s17;s18;s16;d20;s20;s22;s23;s24;s25;s22s26;s8;s28;s29;s30;s7s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₈N₄O₅S
All Atoms:	60
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	12.0645
Area:	683.992
Solvation:	-5.03533
Coulombic:	-71.5143

Bond Count [?]

All:	35
Single:	28
Double:	7
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.72
LogP (Chemaxon):	None

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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