Chemical ID: 4403851

CCC(C)Oc1ccc(cc1OC)C=C2C(=O)NC(=O)N(C2=O)c3ccc(cc3)C
Chemical ID:
4403851
Name [?]:
5-[(3-methoxy-4-sec-butoxy-phenyl)methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione
SMILES [?]:
CCC(C)Oc1ccc(cc1OC)C=C2C(=O)NC(=O)N(C2=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C23H24N2O5/c1-5-15(3)30-19-11-8-16(13-20(19)29-4)12-18-21(26)24-23(28)25(22(18)27)17-9-6-14(2)7-10-17/h6-13,15H,5H2,1-4H3,(H,24,26,28)
InChi Info:
AuxInfo=1/1/N:1,30,4,13,2,26,28,8,25,29,7,14,10,27,3,9,24,15,6,11,16,22,19,18,21,17,23,20,12,5/E:(6,7)(9,10)/rA:30cCCCCOCCCCCCOCCCCONCONCOCCCCCCC/rB:s1;s2;s3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;w14;s15;d16;s16;s18;d19;s19;s15s21;d22;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N2O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.48687
Area:630.368
Solvation:-6.27233
Coulombic:-62.593
Bond Count [?]
All:32
Single:22
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:408.447
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.64
LogP (Chemaxon):3.8

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Descriptor Annotations

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