Chemical ID: 4635290

c1cc(cc(c1)Cl)N2C(=O)C(=CNN3CCOCC3)C(=O)NC2=O
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

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