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Chemical ID: 5927153

CC(c1ccccc1)NC(=O)CSc2nc3c(c4ccccc4n3Cc5cccc(c5)Cl)nn2

Chemical ID:

5927153

Name [?]:

None

SMILES [?]:

CC(c1ccccc1)NC(=O)CSc2nc3c(c4ccccc4n3Cc5cccc(c5)Cl)nn2

InChi [?]:

InChI=1/C26H22ClN5OS/c1-17(19-9-3-2-4-10-19)28-23(33)16-34-26-29-25-24(30-31-26)21-12-5-6-13-22(21)32(25)15-18-8-7-11-20(27)14-18/h2-14,17H,15-16H2,1H3,(H,28,33)

InChi Info:

AuxInfo=1/1/N:1,6,5,7,20,21,28,27,4,8,29,19,22,31,25,12,2,26,3,30,18,23,10,17,16,14,32,9,15,33,34,24,11,13/E:(3,4)(9,10)/rA:34cCCCCCCCCNCOCSCNCCCCCCCCNCCCCCCCClNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;d18s22;s16s23;s24;s25;s26;d27;s28;d29;d26s30;s30;d17;d14s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂ClN₅OS
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	15.205
Area:	736.078
Solvation:	-3.19699
Coulombic:	-43.1811

Bond Count [?]

All:	38
Single:	25
Double:	13
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	488.005
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.32
LogP (Chemaxon):	5.88

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