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Chemical ID: 4920591

Cc1c(sc(n1)n2c(cc(n2)c3ccccc3)c4ccccc4)C(=O)C=CC(=Cc5ccccc5)C

Chemical ID:

4920591

Name [?]:

1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-4-methyl-5-phenyl-penta-2,4-dien-1-one

SMILES [?]:

Cc1c(sc(n1)n2c(cc(n2)c3ccccc3)c4ccccc4)C(=O)C=CC(=Cc5ccccc5)C

InChi [?]:

InChI=1/C31H25N3OS/c1-22(20-24-12-6-3-7-13-24)18-19-29(35)30-23(2)32-31(36-30)34-28(26-16-10-5-11-17-26)21-27(33-34)25-14-8-4-9-15-25/h3-21H,1-2H3

InChi Info:

AuxInfo=1/0/N:36,1,33,15,21,32,34,14,16,20,22,31,35,13,17,19,23,27,26,29,9,28,2,30,12,18,10,8,24,3,5,6,11,7,25,4/E:(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:36nCCCSCNNCCCNCCCCCCCCCCCCCOCCCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s9;s7d10;s10;s12;d13;s14;d15;d12s16;s8;s18;d19;s20;d21;d18s22;s3;d24;s24;w26;s27;w28;s29;s30;d31;s32;d33;d30s34;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₂₅N₃OS
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	14.7445
Area:	727.787
Solvation:	-3.45022
Coulombic:	-25.4385

Bond Count [?]

All:	40
Single:	24
Double:	16
Rotors:	7
Chiral:	2
Rigid Segments:	8

Chemical Properties

Molecular Weight:	487.616
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	7.56
LogP (Chemaxon):	7.36

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value