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Chemical ID: 5987358

CC(CCc1ccccc1)NC(=O)c2cc(nn2c3cccc(c3)Cl)c4ccccc4Cl

Chemical ID:

5987358

Name [?]:

5-(2-chlorophenyl)-2-(3-chlorophenyl)-N-(1-methyl-3-phenyl-propyl)-pyrazole-3-carboxamide

SMILES [?]:

CC(CCc1ccccc1)NC(=O)c2cc(nn2c3cccc(c3)Cl)c4ccccc4Cl

InChi [?]:

InChI=1/C26H23Cl2N3O/c1-18(14-15-19-8-3-2-4-9-19)29-26(32)25-17-24(22-12-5-6-13-23(22)28)30-31(25)21-11-7-10-20(27)16-21/h2-13,16-18H,14-15H2,1H3,(H,29,32)

InChi Info:

AuxInfo=1/1/N:1,8,7,9,28,29,21,6,10,22,20,27,30,3,4,24,15,2,5,23,19,26,31,16,14,12,25,32,11,17,18,13/E:(3,4)(8,9)/rA:32cCCCCCCCCCCNCOCCCNNCCCCCCClCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;d12;s12;d14;s15;d16;s14s17;s18;s19;d20;s21;d22;d19s23;s23;s16;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃Cl₂N₃O
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	14.4921
Area:	706.773
Solvation:	-3.17721
Coulombic:	-31.6593

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	464.386
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	7.37
LogP (Chemaxon):	6.62

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

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Chemical Mix	Source	External ID	Descriptor	Value