Chemical ID: 7250433

CCOC(=O)C1=C(N(C(=O)NC1c2ccc(c(c2)OC)OCC(=O)Nc3ccccc3Cl)C)C
Chemical ID:
7250433
Name [?]:
ethyl 4-[4-[(2-chlorophenyl)carbamoylmethoxy]-3-methoxy-phenyl]-1,6-dimethyl-2-oxo-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCOC(=O)C1=C(N(C(=O)NC1c2ccc(c(c2)OC)OCC(=O)Nc3ccccc3Cl)C)C
InChi [?]:
InChI=1/C24H26ClN3O6/c1-5-33-23(30)21-14(2)28(3)24(31)27-22(21)15-10-11-18(19(12-15)32-4)34-13-20(29)26-17-9-7-6-8-16(17)25/h6-12,22H,5,13H2,1-4H3,(H,26,29)(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,34,33,20,2,29,28,30,27,14,15,18,22,7,13,31,26,16,17,23,6,12,4,9,32,25,11,8,24,5,10,19,3,21/rA:34cCCOCOCCNCONCCCCCCCOCOCCONCCCCCCClCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s9;s6s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;s8;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26ClN3O6
All Atoms:60
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.84307
Area:696.325
Solvation:-7.56505
Coulombic:-84.3632
Bond Count [?]
All:36
Single:26
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:487.933
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:2.4
LogP (Chemaxon):1.26

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue