Chemical ID: 7482753

CC(C)(C)NC(=O)c1ccccc1NC(=O)COc2ccc3ccccc3c2Br
Chemical ID:
7482753
Name [?]:
2-[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino-N-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)NC(=O)c1ccccc1NC(=O)COc2ccc3ccccc3c2Br
InChi [?]:
InChI=1/C23H23BrN2O3/c1-23(2,3)26-22(28)17-10-6-7-11-18(17)25-20(27)14-29-19-13-12-15-8-4-5-9-16(15)21(19)24/h4-13H,14H2,1-3H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,25,10,11,23,26,9,12,21,20,17,22,27,8,13,19,15,28,6,2,29,14,5,16,7,18/E:(1,2,3)/rA:29nCCCCNCOCCCCCCNCOCOCCCCCCCCCCBr/rB:s1;s2;s2;s2;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;s17;s18;s19;d20;s21;s22;d23;s24;d25;d22s26;d19s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23BrN2O3
All Atoms:52
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.3262
Area:630.87
Solvation:-4.44554
Coulombic:-52.0731
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:455.344
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.87
LogP (Chemaxon):5.05

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Descriptor Annotations

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