Chemical ID: 4947716

c1ccc(cc1)c2ccc(cc2)C=C3C(=O)NC(=S)NC3=O
Chemical ID:
4947716
Name [?]:
5-[(4-phenylphenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C=C3C(=O)NC(=S)NC3=O
InChi [?]:
InChI=1/C17H12N2O2S/c20-15-14(16(21)19-17(22)18-15)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,11,8,12,13,10,4,7,14,15,21,18,17,20,16,22,19/E:(2,3)(4,5)(6,7)(8,9)(15,16)(18,19)(20,21)/rA:22nCCCCCCCCCCCCCCCONCSNCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s14;d15;s15;s17;d18;s18;s14s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12N2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.73626
Area:492.951
Solvation:-2.58751
Coulombic:-44.7688
Bond Count [?]
All:24
Single:14
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:308.355
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.88
LogP (Chemaxon):3.11

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Descriptor Annotations

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