Chemical ID: 4191583

Cc1c(c2ccccc2[nH]1)C=C3C(=O)NC(=O)N(C3=O)c4ccc(cc4)OC
Chemical ID:
4191583
Name [?]:
1-(4-methoxyphenyl)-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)c4ccc(cc4)OC
InChi [?]:
InChI=1/C21H17N3O4/c1-12-16(15-5-3-4-6-18(15)22-12)11-17-19(25)23-21(27)24(20(17)26)13-7-9-14(28-2)10-8-13/h3-11,22H,1-2H3,(H,23,25,27)
InChi Info:
AuxInfo=1/1/N:1,28,6,7,5,8,22,26,23,25,11,2,21,24,4,3,12,9,13,19,16,10,15,18,14,20,17,27/E:(7,8)(9,10)/rA:28nCCCCCCCCCNCCCONCONCOCCCCCCOC/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;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17N3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.10754
Area:562.645
Solvation:-4.95859
Coulombic:-65.0508
Bond Count [?]
All:31
Single:20
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:375.378
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.62
LogP (Chemaxon):2.78

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Descriptor Annotations

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