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Chemical ID: 4635548
Chemical ID:
4635548
Name [?]:
5-(2-dimethylaminoethylaminomethylene)-1-(4-isopropylphenyl)-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
CC(C)c1ccc(cc1)N2C(=O)C(=CNCCN(C)C)C(=O)NC2=O
InChi [?]:
InChI=1/C18H24N4O3/c1-12(2)13-5-7-14(8-6-13)22-17(24)15(16(23)20-18(22)25)11-19-9-10-21(3)4/h5-8,11-12,19H,9-10H2,1-4H3,(H,20,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,19,20,5,9,6,8,16,17,14,2,4,7,13,21,11,24,15,23,18,10,22,12,25/E:(1,2)(3,4)(5,6)(7,8)/rA:25nCCCCCCCCCNCOCCNCCNCCCONCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;s15;s16;s17;s18;s18;s13;d21;s21;s10s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N4O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1467 |
Area: | 575.126 |
Solvation: | -3.23149 |
Coulombic: | -64.9533 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 344.408 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.68 |
LogP (Chemaxon): | -0.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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