Chemical ID: 5624971

Cc1ccccc1N2C(=O)C(=Cc3cc4ccccc4n3C(=O)C)C(=O)NC2=O
Chemical ID:
5624971
Name [?]:
5-[(1-acetylindol-2-yl)methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1ccccc1N2C(=O)C(=Cc3cc4ccccc4n3C(=O)C)C(=O)NC2=O
InChi [?]:
InChI=1/C22H17N3O4/c1-13-7-3-5-9-18(13)25-21(28)17(20(27)23-22(25)29)12-16-11-15-8-4-6-10-19(15)24(16)14(2)26/h3-12H,1-2H3,(H,23,27,29)
InChi Info:
AuxInfo=1/1/N:1,24,4,17,5,18,3,16,6,19,14,12,2,22,15,13,11,7,20,25,9,28,27,21,8,23,26,10,29/rA:29nCCCCCCCNCOCCCCCCCCCCNCOCCONCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;d13;s14;s15;d16;s17;d18;d15s19;s13s20;s21;d22;s22;s11;d25;s25;s8s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17N3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.5816
Area:535.81
Solvation:-3.81365
Coulombic:-62.6645
Bond Count [?]
All:32
Single:20
Double:12
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:387.388
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.16
LogP (Chemaxon):2.78

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Descriptor Annotations

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