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Chemical ID: 7432402

c1ccc(cc1)Cn2c3ccccc3cc2C=C4C(=O)NC(=O)N(C4=O)c5ccc(cc5)Cl

Chemical ID:

7432402

Name [?]:

5-[(1-benzylindol-2-yl)methylene]-1-(4-chlorophenyl)-hexahydropyrimidine-2,4,6-trione

SMILES [?]:

c1ccc(cc1)Cn2c3ccccc3cc2C=C4C(=O)NC(=O)N(C4=O)c5ccc(cc5)Cl

InChi [?]:

InChI=1/C26H18ClN3O3/c27-19-10-12-20(13-11-19)30-25(32)22(24(31)28-26(30)33)15-21-14-18-8-4-5-9-23(18)29(21)16-17-6-2-1-3-7-17/h1-15H,16H2,(H,28,31,33)

InChi Info:

AuxInfo=1/1/N:1,2,6,12,11,3,5,13,10,29,31,28,32,15,17,7,4,14,30,27,16,18,9,19,25,22,33,21,8,24,20,26,23/E:(2,3)(6,7)(10,11)(12,13)/rA:33nCCCCCCCNCCCCCCCCCCCONCONCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s8d15;s16;w17;s18;d19;s19;s21;d22;s22;s18s24;d25;s24;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₁₈ClN₃O₃
All Atoms:	51
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0715
Area:	642.201
Solvation:	-3.98354
Coulombic:	-55.6721

Bond Count [?]

All:	37
Single:	23
Double:	14
Rotors:	4
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	455.892
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.2
LogP (Chemaxon):	5.32

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value