Chemical ID: 6908013

Cc1cccc(c1C)NC(=O)COC(=O)c2ccc(cc2)Br
Chemical ID:
6908013
Name [?]:
(2,3-dimethylphenyl)carbamoylmethyl 4-bromobenzoate
SMILES [?]:
Cc1cccc(c1C)NC(=O)COC(=O)c2ccc(cc2)Br
InChi [?]:
InChI=1/C17H16BrNO3/c1-11-4-3-5-15(12(11)2)19-16(20)10-22-17(21)13-6-8-14(18)9-7-13/h3-9H,10H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,17,21,18,20,12,2,7,16,19,6,10,14,22,9,11,15,13/E:(6,7)(8,9)/rA:22nCCCCCCCCNCOCOCOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16BrNO3
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1119
Area:528.953
Solvation:-3.1119
Coulombic:-41.8053
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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Descriptor Annotations

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