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Chemical ID: 4960299

Chemical ID:

4960299

Name [?]:

butyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

SMILES [?]:

CCCCOC(=O)C1=C(NC(=O)NC1c2ccccc2OC)C

InChi [?]:

InChI=1/C17H22N2O4/c1-4-5-10-23-16(20)14-11(2)18-17(21)19-15(14)12-8-6-7-9-13(12)22-3/h6-9,15H,4-5,10H2,1-3H3,(H2,18,19,21)

InChi Info:

AuxInfo=1/1/N:1,23,22,2,3,17,18,16,19,4,9,15,20,8,14,6,11,10,13,7,12,21,5/rA:23cCCCCOCOCCNCONCCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;d11;s11;s8s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₂N₂O₄
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	9.62788
Area:	514.742
Solvation:	-3.24068
Coulombic:	-62.2332

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	318.368
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.18
LogP (Chemaxon):	1.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value