Chemical ID: 6609345

Cc1cc(ccc1Br)NC(=O)COC(=O)c2ccc(cc2)N(C)C
Chemical ID:
6609345
Name [?]:
(4-bromo-3-methyl-phenyl)carbamoylmethyl 4-dimethylaminobenzoate
SMILES [?]:
Cc1cc(ccc1Br)NC(=O)COC(=O)c2ccc(cc2)N(C)C
InChi [?]:
InChI=1/C18H19BrN2O3/c1-12-10-14(6-9-16(12)19)20-17(22)11-24-18(23)13-4-7-15(8-5-13)21(2)3/h4-10H,11H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,24,17,21,5,18,20,6,3,12,2,16,4,19,7,10,14,8,9,22,11,15,13/E:(2,3)(4,5)(7,8)/rA:24nCCCCCCCBrNCOCOCOCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19BrN2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6926
Area:571.387
Solvation:-3.59206
Coulombic:-47.2001
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:391.259
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.93
LogP (Chemaxon):4.2

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