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Chemical ID: 7681614

CCn1c(nnc1SCC(=O)Nc2ccc(cc2)N3CCOCC3)COc4ccccc4

Chemical ID:

7681614

Name [?]:

None

SMILES [?]:

CCn1c(nnc1SCC(=O)Nc2ccc(cc2)N3CCOCC3)COc4ccccc4

InChi [?]:

InChI=1/C23H27N5O3S/c1-2-28-21(16-31-20-6-4-3-5-7-20)25-26-23(28)32-17-22(29)24-18-8-10-19(11-9-18)27-12-14-30-15-13-27/h3-11H,2,12-17H2,1H3,(H,24,29)

InChi Info:

AuxInfo=1/1/N:1,2,30,29,31,28,32,14,18,15,17,20,24,21,23,25,9,13,16,27,4,10,7,12,5,6,19,3,11,22,26,8/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:32nCCNCNNCSCCONCCCCCCNCCOCCCOCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;s21;s22;s19s23;s4;s25;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₇N₅O₃S
All Atoms:	59
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	11.4405
Area:	706.464
Solvation:	-6.22111
Coulombic:	-54.5185

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.44
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