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Chemical ID: 6150249

CCN(CC)c1ccc(cc1)NC(=O)CSc2nc(c3c4c(sc3n2)CCCC4)O

Chemical ID:

6150249

Name [?]:

None

SMILES [?]:

CCN(CC)c1ccc(cc1)NC(=O)CSc2nc(c3c4c(sc3n2)CCCC4)O

InChi [?]:

InChI=1/C22H26N4O2S2/c1-3-26(4-2)15-11-9-14(10-12-15)23-18(27)13-29-22-24-20(28)19-16-7-5-6-8-17(16)30-21(19)25-22/h9-12H,3-8,13H2,1-2H3,(H,23,27)(H,24,25,28)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,28,27,29,26,8,10,7,11,15,9,6,21,22,13,20,19,24,17,12,18,25,3,14,30,16,23/E:(1,2)(3,4)(9,10)(11,12)/rA:30nCCNCCCCCCCCNCOCSCNCCCCSCNCCCCO/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;s20;d21;s22;d20s23;d17s24;s22;s26;s27;s21s28;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₆N₄O₂S₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.1193
Area:	673.104
Solvation:	-3.70835
Coulombic:	-55.4731

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	442.6
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.65
LogP (Chemaxon):	5.67

Name Annotations

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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