ChemDB: Chemical Search
Download
Chemical ID: 6042464
Chemical ID:
6042464
Name [?]:
1-[4-[[8-(1,1-dimethylpropyl)-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl]methyl]benzoyl]piperidine-4-carboxamide
SMILES [?]:
CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(cc3)C(=O)N4CCC(CC4)C(=O)N
InChi [?]:
InChI=1/C27H33N3O4/c1-4-27(2,3)21-9-10-23-22(15-21)30(24(31)17-34-23)16-18-5-7-20(8-6-18)26(33)29-13-11-19(12-14-29)25(28)32/h5-10,15,19H,4,11-14,16-17H2,1-3H3,(H2,28,32)
InChi Info:
AuxInfo=1/1/N:1,4,5,2,19,23,20,22,7,8,28,30,27,31,11,17,15,18,29,21,6,10,9,13,32,24,3,34,26,12,14,33,25,16/E:(2,3)(5,6)(7,8)(11,12)(13,14)/rA:34nCCCCCCCCCCCNCOCOCCCCCCCCONCCCCCCON/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s9s15;s12;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;s26;s27;s28;s29;s26s30;s29;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H33N3O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1902 |
Area: | 691.677 |
Solvation: | -5.10175 |
Coulombic: | -68.3954 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 463.569 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.63 |
LogP (Chemaxon): | 2.73 |
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 |
---|