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Chemical ID: 4620684

CCOC(=O)CSc1c2c(c3c4c(c(nc3s2)N5CCOCC5)COC(C4)(C)C)ncn1

Chemical ID:

4620684

Name [?]:

None

SMILES [?]:

CCOC(=O)CSc1c2c(c3c4c(c(nc3s2)N5CCOCC5)COC(C4)(C)C)ncn1

InChi [?]:

InChI=1/C22H26N4O4S2/c1-4-29-15(27)11-31-21-18-17(23-12-24-21)16-13-9-22(2,3)30-10-14(13)19(25-20(16)32-18)26-5-7-28-8-6-26/h12H,4-11H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,28,29,2,19,23,20,22,27,24,6,31,12,13,4,11,10,9,14,16,8,26,30,32,15,18,5,21,3,25,7,17/E:(2,3)(5,6)(7,8)/rA:32nCCOCOCSCCCCCCCNCSNCCOCCCOCCCCNCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s14;s18;s19;s20;s21;s18s22;s13;s24;s25;s12s26;s26;s26;s10;d30;d8s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₆N₄O₄S₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7609
Area:	683.779
Solvation:	-5.33354
Coulombic:	-57.4812

Bond Count [?]

All:	36
Single:	29
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	474.598
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.43
LogP (Chemaxon):	3.64

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