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Chemical ID: 5933006
Chemical ID:
5933006
Name [?]:
2-methoxyethyl 4-(4-cyclobutylcarbonylaminophenyl)-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CC1=C(C(NC(=O)N1C)c2ccc(cc2)NC(=O)C3CCC3)C(=O)OCCOC
InChi [?]:
InChI=1/C21H27N3O5/c1-13-17(20(26)29-12-11-28-3)18(23-21(27)24(13)2)14-7-9-16(10-8-14)22-19(25)15-5-4-6-15/h7-10,15,18H,4-6,11-12H2,1-3H3,(H,22,25)(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,9,29,21,20,22,11,15,12,14,27,26,2,10,19,13,3,4,17,23,6,16,5,8,18,24,7,28,25/E:(5,6)(7,8)(9,10)/rA:29cCCCCNCONCCCCCCCNCOCCCCCOOCCOC/rB:s1;d2;s3;s4;s5;d6;s2s6;s8;s4;s10;d11;s12;d13;d10s14;s13;s16;d17;s17;s19;s20;s19s21;s3;d23;s23;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N3O5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2052 |
Area: | 616.852 |
Solvation: | -5.21605 |
Coulombic: | -76.7862 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 401.456 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 0.89 |
LogP (Chemaxon): | 0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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