Chemical ID: 6489712

CN(C)C=C1C(=O)N(C(=S)N(C1=O)c2ccccc2)c3ccccc3
Chemical ID:
6489712
Name [?]:
5-(dimethylaminomethylene)-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-dione
SMILES [?]:
CN(C)C=C1C(=O)N(C(=S)N(C1=O)c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C19H17N3O2S/c1-20(2)13-16-17(23)21(14-9-5-3-6-10-14)19(25)22(18(16)24)15-11-7-4-8-12-15/h3-13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,23,16,18,22,24,15,19,21,25,4,14,20,5,12,6,9,2,11,8,13,7,10/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(14,15)(17,18)(21,22)(23,24)/rA:25nCNCCCCONCSNCOCCCCCCCCCCCC/rB:s1;s2;s2;d4;s5;d6;s6;s8;d9;s9;s5s11;d12;s11;s14;d15;s16;d17;d14s18;s8;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17N3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.7461
Area:527.785
Solvation:-2.44848
Coulombic:-42.0815
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:351.423
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.94
LogP (Chemaxon):3.33

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Descriptor Annotations

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