Chemical ID: 4187931

Cc1ccccc1N2C(=O)C(=Cc3cc4ccccc4n3C)C(=O)NC2=O
Chemical ID:
4187931
Name [?]:
5-[(1-methylindol-2-yl)methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1ccccc1N2C(=O)C(=Cc3cc4ccccc4n3C)C(=O)NC2=O
InChi [?]:
InChI=1/C21H17N3O3/c1-13-7-3-5-9-17(13)24-20(26)16(19(25)22-21(24)27)12-15-11-14-8-4-6-10-18(14)23(15)2/h3-12H,1-2H3,(H,22,25,27)
InChi Info:
AuxInfo=1/1/N:1,22,4,17,5,18,3,16,6,19,14,12,2,15,13,11,7,20,23,9,26,25,21,8,24,10,27/rA:27nCCCCCCCNCOCCCCCCCCCCNCCONCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;d13;s14;s15;d16;s17;d18;d15s19;s13s20;s21;s11;d23;s23;s8s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.39743
Area:525.299
Solvation:-3.73503
Coulombic:-53.4815
Bond Count [?]
All:30
Single:19
Double:11
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:359.378
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.1
LogP (Chemaxon):3.5

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