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Chemical ID: 5933307
Chemical ID:
5933307
Name [?]:
ethyl 1-butyl-4-[4-(3,3-dimethylbutanoylamino)phenyl]-6-methyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCCCN1C(=C(C(NC1=O)c2ccc(cc2)NC(=O)CC(C)(C)C)C(=O)OCC)C
InChi [?]:
InChI=1/C24H35N3O4/c1-7-9-14-27-16(3)20(22(29)31-8-2)21(26-23(27)30)17-10-12-18(13-11-17)25-19(28)15-24(4,5)6/h10-13,21H,7-9,14-15H2,1-6H3,(H,25,28)(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,30,31,23,24,25,2,29,3,13,17,14,16,4,21,6,12,15,19,7,8,26,10,22,18,9,5,20,27,11,28/E:(4,5,6)(10,11)(12,13)/rA:31cCCCCNCCCNCOCCCCCCNCOCCCCCCOOCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s5s9;d10;s8;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;s22;s22;s22;s7;d26;s26;s28;s29;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H35N3O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.4495 |
Area: | 670.451 |
Solvation: | -3.31178 |
Coulombic: | -70.7884 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 429.553 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.02 |
LogP (Chemaxon): | 3.13 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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