Chemical ID: 4770637

CCOC(=O)c1c(c(ccc1N(C)C)C2C=CNC(=O)N2)C
Chemical ID:
4770637
Name [?]:
ethyl 6-dimethylamino-2-methyl-3-(2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-benzoate
SMILES [?]:
CCOC(=O)c1c(c(ccc1N(C)C)C2C=CNC(=O)N2)C
InChi [?]:
InChI=1/C16H21N3O3/c1-5-22-15(20)14-10(2)11(6-7-13(14)19(3)4)12-8-9-17-16(21)18-12/h6-9,12H,5H2,1-4H3,(H2,17,18,21)
InChi Info:
AuxInfo=1/1/N:1,22,13,14,2,9,10,16,17,7,8,15,11,6,4,19,18,21,12,5,20,3/E:(3,4)/rA:22cCCOCOCCCCCCNCCCCCNCONC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;s12;s8;s15;d16;s17;s18;d19;s15s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21N3O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.10662
Area:503.423
Solvation:-3.47895
Coulombic:-60.41
Bond Count [?]
All:23
Single:17
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.356
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.16
LogP (Chemaxon):1.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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