ChemDB: Chemical Search
Download
Chemical ID: 3927854
Chemical ID:
3927854
Name [?]:
2-(8,8-dimethyl-9-oxo-3-pyrrolidin-1-ylcarbonyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-phenyl-acetamide
SMILES [?]:
CC1(C(=O)N(c2cc(ccc2O1)C(=O)N3CCCC3)CC(=O)Nc4ccccc4)C
InChi [?]:
InChI=1/C23H25N3O4/c1-23(2)22(29)26(15-20(27)24-17-8-4-3-5-9-17)18-14-16(10-11-19(18)30-23)21(28)25-12-6-7-13-25/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,30,27,26,28,17,18,25,29,9,10,16,19,7,20,8,24,6,11,21,13,3,2,23,15,5,22,14,4,12/E:(1,2)(4,5)(6,7)(8,9)(12,13)/rA:30nCCCONCCCCCCOCONCCCCCCONCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s8;d13;s13;s15;s16;s17;s15s18;s5;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5067 |
Area: | 606.154 |
Solvation: | -4.64711 |
Coulombic: | -63.3039 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 407.462 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.22 |
LogP (Chemaxon): | 1.89 |
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 |
---|