ChemDB: Chemical Search
Download
Chemical ID: 7053735
Chemical ID:
7053735
Name [?]:
3-hydroxyimino-N-(4-isopropylphenyl)-4,7,7-trimethyl-2-oxo-norbornane-1-carboxamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)C23CCC(C2(C)C)(C(=NO)C3=O)C
InChi [?]:
InChI=1/C20H26N2O3/c1-12(2)13-6-8-14(9-7-13)21-17(24)20-11-10-19(5,18(20,3)4)15(22-25)16(20)23/h6-9,12,25H,10-11H2,1-5H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,3,18,19,25,5,9,6,8,15,14,2,4,7,20,23,11,17,16,13,10,21,24,12,22/E:(1,2)(3,4)(6,7)(8,9)/rA:25cCCCCCCCCCNCOCCCCCCCCNOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s13s16;s17;s17;s16;w20;s21;s13s20;d23;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N2O3 |
All Atoms: | 51 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.2187 |
Area: | 539.315 |
Solvation: | -3.26416 |
Coulombic: | -42.6883 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 342.432 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.71 |
LogP (Chemaxon): | 5.85 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|