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Chemical ID: 4920673

Cc1ccc(cc1)C=CC(=O)c2c(nc(s2)n3c(cc(n3)c4ccccc4)c5ccccc5)C

Chemical ID:

4920673

Name [?]:

1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(p-tolyl)prop-2-en-1-one

SMILES [?]:

Cc1ccc(cc1)C=CC(=O)c2c(nc(s2)n3c(cc(n3)c4ccccc4)c5ccccc5)C

InChi [?]:

InChI=1/C29H23N3OS/c1-20-13-15-22(16-14-20)17-18-27(33)28-21(2)30-29(34-28)32-26(24-11-7-4-8-12-24)19-25(31-32)23-9-5-3-6-10-23/h3-19H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,34,25,31,24,26,30,32,23,27,29,33,3,7,4,6,8,9,19,2,13,5,22,28,20,18,10,12,15,14,21,17,11,16/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:34nCCCCCCCCCCOCCNCSNCCCNCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;d12;s13;d14;s12s15;s15;s17;d18;s19;s17d20;s20;s22;d23;s24;d25;d22s26;s18;s28;d29;s30;d31;d28s32;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₃N₃OS
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	14.2617
Area:	704.676
Solvation:	-3.3552
Coulombic:	-24.4655

Bond Count [?]

All:	38
Single:	23
Double:	15
Rotors:	6
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	461.579
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	6.95
LogP (Chemaxon):	7.14

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