Chemical ID: 4633032

Cc1ccc(cc1)Sc2ccc(o2)C=C3C(=O)NC(=O)N(C3=O)c4ccc(cc4)Cl
Chemical ID:
4633032
Name [?]:
1-(4-chlorophenyl)-5-[[5-(p-tolylsulfanyl)-2-furyl]methylene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1ccc(cc1)Sc2ccc(o2)C=C3C(=O)NC(=O)N(C3=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H15ClN2O4S/c1-13-2-9-17(10-3-13)30-19-11-8-16(29-19)12-18-20(26)24-22(28)25(21(18)27)15-6-4-14(23)5-7-15/h2-12H,1H3,(H,24,26,28)
InChi Info:
AuxInfo=1/1/N:1,3,7,26,28,25,29,11,4,6,10,14,2,27,24,12,5,15,9,16,22,19,30,18,21,17,23,20,13,8/E:(2,3)(4,5)(6,7)(9,10)/rA:30nCCCCCCCSCCCCOCCCONCONCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;w14;s15;d16;s16;s18;d19;s19;s15s21;d22;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15ClN2O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.8509
Area:642.297
Solvation:-4.2065
Coulombic:-56.2709
Bond Count [?]
All:33
Single:21
Double:12
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:438.884
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.36
LogP (Chemaxon):5.0

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