Chemical ID: 6555733

CC(C)c1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2)Br
Chemical ID:
6555733
Name [?]:
(3-bromophenyl)carbamoylmethyl 4-isopropylbenzoate
SMILES [?]:
CC(C)c1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C18H18BrNO3/c1-12(2)13-6-8-14(9-7-13)18(22)23-11-17(21)20-16-5-3-4-15(19)10-16/h3-10,12H,11H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,19,20,18,5,9,6,8,22,13,2,4,7,21,17,14,10,23,16,15,11,12/E:(1,2)(6,7)(8,9)/rA:23nCCCCCCCCCCOOCCONCCCCCCBr/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18BrNO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.9111
Area:558.91
Solvation:-3.0616
Coulombic:-42.6169
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:376.244
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.9
LogP (Chemaxon):4.66

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