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Chemical ID: 5933796

CCCN1C(=C(C(NC1=O)c2ccc(cc2)NC(=O)c3ccc4ccccc4c3)C(=O)OCCOC)C

Chemical ID:

5933796

Name [?]:

2-methoxyethyl 6-methyl-4-[4-(2-naphthylcarbonylamino)phenyl]-2-oxo-1-propyl-3,4-dihydropyrimidine-5-carboxylate

SMILES [?]:

CCCN1C(=C(C(NC1=O)c2ccc(cc2)NC(=O)c3ccc4ccccc4c3)C(=O)OCCOC)C

InChi [?]:

InChI=1/C29H31N3O5/c1-4-15-32-19(2)25(28(34)37-17-16-36-3)26(31-29(32)35)21-11-13-24(14-12-21)30-27(33)23-10-9-20-7-5-6-8-22(20)18-23/h5-14,18,26H,4,15-17H2,1-3H3,(H,30,33)(H,31,35)

InChi Info:

AuxInfo=1/1/N:1,37,36,2,25,26,24,27,22,21,12,16,13,15,3,34,33,29,5,23,11,28,20,14,6,7,18,30,9,17,8,4,19,31,10,35,32/E:(11,12)(13,14)/rA:37cCCCNCCCNCOCCCCCCNCOCCCCCCCCCCCOOCCOCC/rB:s1;s2;s3;s4;d5;s6;s7;s4s8;d9;s7;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;d21;s22;s23;d24;s25;d26;d23s27;d20s28;s6;d30;s30;s32;s33;s34;s35;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₁N₃O₅
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	13.2298
Area:	748.568
Solvation:	-5.48445
Coulombic:	-80.5621

Bond Count [?]

All:	40
Single:	28
Double:	12
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	501.574
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	3.88
LogP (Chemaxon):	3.17

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