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Chemical ID: 4356529

Cc1cc(c(n1c2ccc(cc2)N3CCOCC3)C)C=C4C(=O)NC(=O)N(C4=O)c5ccccc5

Chemical ID:

4356529

Name [?]:

5-[[2,5-dimethyl-1-(4-morpholinophenyl)-pyrrol-3-yl]methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione

SMILES [?]:

Cc1cc(c(n1c2ccc(cc2)N3CCOCC3)C)C=C4C(=O)NC(=O)N(C4=O)c5ccccc5

InChi [?]:

InChI=1/C27H26N4O4/c1-18-16-20(17-24-25(32)28-27(34)31(26(24)33)22-6-4-3-5-7-22)19(2)30(18)23-10-8-21(9-11-23)29-12-14-35-15-13-29/h3-11,16-17H,12-15H2,1-2H3,(H,28,32,34)

InChi Info:

AuxInfo=1/1/N:1,19,33,32,34,31,35,9,11,8,12,14,18,15,17,3,20,2,5,4,10,30,7,21,22,28,25,24,13,6,27,23,29,26,16/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:35nCCCCCNCCCCCCNCCOCCCCCCONCONCOCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;s15;s16;s13s17;s5;s4;w20;s21;d22;s22;s24;d25;s25;s21s27;d28;s27;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₆N₄O₄
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7794
Area:	690.72
Solvation:	-5.48864
Coulombic:	-66.9138

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	4
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	470.52
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.27
LogP (Chemaxon):	3.23

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