ChemDB: Chemical Search
Download
Chemical ID: 7254450
Chemical ID:
7254450
Name [?]:
1-(2,6-dimethylmorpholin-4-yl)-2-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylamino)propan-1-one
SMILES [?]:
CC1CN(CC(O1)C)C(=O)C(C)Nc2ccc3c(c2)OCCO3
InChi [?]:
InChI=1/C17H24N2O4/c1-11-9-19(10-12(2)23-11)17(20)13(3)18-14-4-5-15-16(8-14)22-7-6-21-15/h4-5,8,11-13,18H,6-7,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,12,15,16,22,21,19,3,5,2,6,11,14,17,18,9,13,4,10,23,20,7/E:(1,2)(9,10)(11,12)/rA:23cCCCNCCOCCOCCNCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;d9;s9;s11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s21;s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O4 |
All Atoms: | 47 |
Heavy Atoms: | 23 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.96427 |
Area: | 520.065 |
Solvation: | -5.03734 |
Coulombic: | -52.5691 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 320.384 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.65 |
LogP (Chemaxon): | 1.13 |
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 |
---|