Chemical ID: 5765693

Cc1ccc(cc1)COC(=O)C2=C(NC(=O)NC2c3ccccc3OC(C)C)C
Chemical ID:
5765693
Name [?]:
p-tolylmethyl 4-(2-isopropoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILES [?]:
Cc1ccc(cc1)COC(=O)C2=C(NC(=O)NC2c3ccccc3OC(C)C)C
InChi [?]:
InChI=1/C23H26N2O4/c1-14(2)29-19-8-6-5-7-18(19)21-20(16(4)24-23(27)25-21)22(26)28-13-17-11-9-15(3)10-12-17/h5-12,14,21H,13H2,1-4H3,(H2,24,25,27)
InChi Info:
AuxInfo=1/1/N:27,28,1,29,21,22,20,23,3,7,4,6,8,26,2,13,5,19,24,12,18,10,15,14,17,11,16,9,25/E:(1,2)(9,10)(11,12)/rA:29cCCCCCCCCOCOCCNCONCCCCCCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;d12;s13;s14;d15;s15;s12s17;s18;s19;d20;s21;d22;d19s23;s24;s25;s26;s26;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.3873
Area:595.539
Solvation:-3.50114
Coulombic:-63.498
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:394.464
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.86
LogP (Chemaxon):2.97

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Descriptor Annotations

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