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Chemical ID: 4311576
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
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Experimental Annotations
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Descriptor Annotations
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