Chemical ID: 4199220

Cc1c(c2ccccc2[nH]1)C=C3C(=O)NC(=O)N(C3=O)Cc4ccco4
Chemical ID:
4199220
Name [?]:
1-(2-furylmethyl)-5-[(2-methyl-1H-indol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1c(c2ccccc2[nH]1)C=C3C(=O)NC(=O)N(C3=O)Cc4ccco4
InChi [?]:
InChI=1/C19H15N3O4/c1-11-14(13-6-2-3-7-16(13)20-11)9-15-17(23)21-19(25)22(18(15)24)10-12-5-4-8-26-12/h2-9,20H,10H2,1H3,(H,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,6,7,24,23,5,8,25,11,21,2,22,4,3,12,9,13,19,16,10,15,18,14,20,17,26/rA:26nCCCCCCCCCNCCCONCONCOCCCCCO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s3;w11;s12;d13;s13;s15;d16;s16;s12s18;d19;s18;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15N3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.52731
Area:524.283
Solvation:-4.57976
Coulombic:-64.5503
Bond Count [?]
All:29
Single:19
Double:10
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:349.34
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.55
LogP (Chemaxon):2.08

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