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Chemical ID: 7313781

c1ccc(cc1)c2ccccc2NC(=O)CSc3nc(cn3N)c4ccccc4

Chemical ID:

7313781

Name [?]:

2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-N-(2-phenylphenyl)-acetamide

SMILES [?]:

c1ccc(cc1)c2ccccc2NC(=O)CSc3nc(cn3N)c4ccccc4

InChi [?]:

InChI=1/C23H20N4OS/c24-27-15-21(18-11-5-2-6-12-18)26-23(27)29-16-22(28)25-20-14-8-7-13-19(20)17-9-3-1-4-10-17/h1-15H,16,24H2,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,27,2,6,26,28,9,10,3,5,25,29,8,11,21,16,4,24,7,12,20,14,18,23,13,19,22,15,17/E:(3,4)(5,6)(9,10)(11,12)/rA:29nCCCCCCCCCCCCNCOCSCNCCNNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;s18s21;s22;s20;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀N₄OS
All Atoms:	49
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.593
Area:	637.244
Solvation:	-3.33807
Coulombic:	-46.6912

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	400.497
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	3.75
LogP (Chemaxon):	5.3

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

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Chemical Mix	Source	External ID	Descriptor	Value