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Chemical ID: 4635290
Chemical ID:
4635290
Name [?]:
1-(3-chlorophenyl)-5-(morpholinoaminomethylene)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
c1cc(cc(c1)Cl)N2C(=O)C(=CNN3CCOCC3)C(=O)NC2=O
InChi [?]:
InChI=1/C15H15ClN4O4/c16-10-2-1-3-11(8-10)20-14(22)12(13(21)18-15(20)23)9-17-19-4-6-24-7-5-19/h1-3,8-9,17H,4-7H2,(H,18,21,23)
InChi Info:
AuxInfo=1/1/N:1,6,2,15,19,16,18,4,12,5,3,11,20,9,23,7,13,22,14,8,21,10,24,17/E:(4,5)(6,7)/rA:24nCCCCCCClNCOCCNNCCOCCCONCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;w11;s12;s13;s14;s15;s16;s17;s14s18;s11;d20;s20;s8s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15ClN4O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.97563 |
Area: | 535.367 |
Solvation: | -4.40855 |
Coulombic: | -65.6765 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 350.757 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 0.53 |
LogP (Chemaxon): | 0.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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