Chemical ID: 5457202

Cc1cc(ccc1Br)NC(=O)COC(=O)c2ccc(cc2)NC(=O)N
Chemical ID:
5457202
Name [?]:
(4-bromo-3-methyl-phenyl)carbamoylmethyl 4-ureidobenzoate
SMILES [?]:
Cc1cc(ccc1Br)NC(=O)COC(=O)c2ccc(cc2)NC(=O)N
InChi [?]:
InChI=1/C17H16BrN3O4/c1-10-8-13(6-7-14(10)18)20-15(22)9-25-16(23)11-2-4-12(5-3-11)21-17(19)24/h2-8H,9H2,1H3,(H,20,22)(H3,19,21,24)
InChi Info:
AuxInfo=1/1/N:1,17,21,18,20,5,6,3,12,2,16,19,4,7,10,14,23,8,25,9,22,11,15,24,13/E:(2,3)(4,5)/rA:25nCCCCCCCBrNCOCOCOCCCCCCNCON/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16BrN3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.2423
Area:581.781
Solvation:-4.30219
Coulombic:-78.5892
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:406.231
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:2.1
LogP (Chemaxon):2.99

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