Chemical ID: 4311576

CCCCOC(=O)C1=C(N(C(=O)NC1c2cc(ccc2OC)OC)C)C
Chemical ID:
4311576
Name [?]:
butyl 4-(2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCCCOC(=O)C1=C(N(C(=O)NC1c2cc(ccc2OC)OC)C)C
InChi [?]:
InChI=1/C19H26N2O5/c1-6-7-10-26-18(22)16-12(2)21(3)19(23)20-17(16)14-11-13(24-4)8-9-15(14)25-5/h8-9,11,17H,6-7,10H2,1-5H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,26,25,24,22,2,3,18,19,4,16,9,17,15,20,8,14,6,11,13,10,7,12,23,21,5/rA:26cCCCCOCOCCNCONCCCCCCCOCOCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;d11;s11;s8s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s17;s23;s10;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26N2O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.57154
Area:569.055
Solvation:-4.65482
Coulombic:-63.8384
Bond Count [?]
All:27
Single:21
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:362.42
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.24
LogP (Chemaxon):1.17

Name Annotations

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

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

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

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

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

Chemical MixSourceExternal IDDescriptorValue