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Chemical ID: 7450892
Chemical ID:
7450892
Name [?]:
6-hydroxy-5-(indan-5-ylaminomethylene)-3-tert-butyl-pyrimidine-2,4-dione
SMILES [?]:
CC(C)(C)N1C(=O)C(=CNc2ccc3c(c2)CCC3)C(=NC1=O)O
InChi [?]:
InChI=1/C18H21N3O3/c1-18(2,3)21-16(23)14(15(22)20-17(21)24)10-19-13-8-7-11-5-4-6-12(11)9-13/h7-10,19H,4-6H2,1-3H3,(H,20,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,18,19,17,13,12,16,9,14,15,11,8,20,6,22,2,10,21,5,24,7,23/E:(1,2,3)/rA:24nCCCCNCOCCNCCCCCCCCCCNCOO/rB:s1;s2;s2;s2;s5;d6;s6;w8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;s8;d20;s5s21;d22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3O3 |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6675 |
Area: | 517.194 |
Solvation: | -2.26236 |
Coulombic: | -62.9225 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.59 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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