Chemical ID: 5379893

CCC(CC)NC(=O)COC(=O)c1ccccc1Br
Chemical ID:
5379893
Name [?]:
1-ethylpropylcarbamoylmethyl 2-bromobenzoate
SMILES [?]:
CCC(CC)NC(=O)COC(=O)c1ccccc1Br
InChi [?]:
InChI=1/C14H18BrNO3/c1-3-10(4-2)16-13(17)9-19-14(18)11-7-5-6-8-12(11)15/h5-8,10H,3-4,9H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,15,16,14,17,9,3,13,18,7,11,19,6,8,12,10/E:(1,2)(3,4)/rA:19nCCCCCNCOCOCOCCCCCCBr/rB:s1;s2;s3;s4;s3;s6;d7;s7;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18BrNO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.41456
Area:486.193
Solvation:-2.74027
Coulombic:-42.315
Bond Count [?]
All:19
Single:14
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:328.202
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.53
LogP (Chemaxon):3.0

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