Chemical ID: 4191571

Cc1c(c2ccccc2[nH]1)C=C3C(=O)NC(=O)N(C3=O)c4ccccc4
Chemical ID:
4191571
Name [?]:
5-[(2-methyl-1H-indol-3-yl)methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
Cc1c(c2ccccc2[nH]1)C=C3C(=O)NC(=O)N(C3=O)c4ccccc4
InChi [?]:
InChI=1/C20H15N3O3/c1-12-15(14-9-5-6-10-17(14)21-12)11-16-18(24)22-20(26)23(19(16)25)13-7-3-2-4-8-13/h2-11,21H,1H3,(H,22,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,6,7,22,26,5,8,11,2,21,4,3,12,9,13,19,16,10,15,18,14,20,17/E:(3,4)(7,8)/rA:26nCCCCCCCCCNCCCONCONCOCCCCCC/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;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.54033
Area:524.507
Solvation:-3.57234
Coulombic:-59.0492
Bond Count [?]
All:29
Single:18
Double:11
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:345.352
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.71
LogP (Chemaxon):3.03

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