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Chemical ID: 7531792

Cc1ccc(c(c1)NC(=O)CSc2nnc(n2C)CC(=O)Nc3ccc(c(c3)Cl)C)OC

Chemical ID:

7531792

Name [?]:

2-[[5-[(3-chloro-4-methyl-phenyl)carbamoylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)-acetamide

SMILES [?]:

Cc1ccc(c(c1)NC(=O)CSc2nnc(n2C)CC(=O)Nc3ccc(c(c3)Cl)C)OC

InChi [?]:

InChI=1/C22H24ClN5O3S/c1-13-5-8-18(31-4)17(9-13)25-21(30)12-32-22-27-26-19(28(22)3)11-20(29)24-15-7-6-14(2)16(23)10-15/h5-10H,11-12H2,1-4H3,(H,24,29)(H,25,30)

InChi Info:

AuxInfo=1/1/N:1,30,18,32,3,25,24,4,7,28,19,11,2,26,23,27,6,5,16,20,9,13,29,22,8,15,14,17,21,10,31,12/rA:32nCCCCCCCNCOCSCNNCNCCCONCCCCCCClCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s17;s16;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s26;s5;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄ClN₅O₃S
All Atoms:	56
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	12.3882
Area:	724.155
Solvation:	-5.71569
Coulombic:	-58.3171

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.57
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

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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