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Chemical ID: 5928532

Cc1ccc(cc1C)NC(=O)CSc2nc(c(c(=O)n2C)Cc3ccc(cc3)Br)C

Chemical ID:

5928532

Name [?]:

2-[5-[(4-bromophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)-acetamide

SMILES [?]:

Cc1ccc(cc1C)NC(=O)CSc2nc(c(c(=O)n2C)Cc3ccc(cc3)Br)C

InChi [?]:

InChI=1/C23H24BrN3O2S/c1-14-5-10-19(11-15(14)2)26-21(28)13-30-23-25-16(3)20(22(29)27(23)4)12-17-6-8-18(24)9-7-17/h5-11H,12-13H2,1-4H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,8,30,21,3,24,28,25,27,4,6,22,12,2,7,16,23,26,5,17,10,18,14,29,15,9,20,11,19,13/E:(6,7)(8,9)/rA:30nCCCCCCCCNCOCSCNCCCONCCCCCCCCBrC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;d14;s15;d16;s17;d18;s14s18;s20;s17;s22;s23;d24;s25;d26;d23s27;s26;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₄BrN₃O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2704
Area:	669.63
Solvation:	-3.47035
Coulombic:	-43.5448

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	486.426
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.29
LogP (Chemaxon):	5.79

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