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Chemical ID: 7482753
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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