Chemical ID: 6876114

Cc1ccc(c(c1)NC(=O)COC(=O)c2ccc(cc2)Br)C
Chemical ID:
6876114
Name [?]:
(2,5-dimethylphenyl)carbamoylmethyl 4-bromobenzoate
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COC(=O)c2ccc(cc2)Br)C
InChi [?]:
InChI=1/C17H16BrNO3/c1-11-3-4-12(2)15(9-11)19-16(20)10-22-17(21)13-5-7-14(18)8-6-13/h3-9H,10H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,3,4,16,20,17,19,7,11,2,5,15,18,6,9,13,21,8,10,14,12/E:(5,6)(7,8)/rA:22nCCCCCCCNCOCOCOCCCCCCBrC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16BrNO3
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2149
Area:530.833
Solvation:-3.05598
Coulombic:-41.839
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:362.218
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.16
LogP (Chemaxon):3.75

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