|
|
|
|
ScientificNameLabel
|
|
|
|
|
|
More Details :
|
|
|
| Names & Synonyms: |
1-(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl)propan-2-one , 1-(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl)-2-propanone , 1-(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl)propan-2-one , 1-(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl)acetone
|
| Smiles: |
CC(=O)C[C@@H]1c2c3OCOc3ccc2c2c(N1C)c1cc3OCOc3cc1cc2
|
| InChi : |
InChI=1S/C23H19NO5/c1-12(25)7-17-21-14(5-6-18-23(21)29-11-26-18)15-4-3-13-8-19-20(28-10-27-19)9-16(13)22(15)24(17)2/h3-6,8-9,17H,7,10-11H2,1-2H3/t17-/m1/s1
|
| InChi Key : |
InChIKey=ONEHMWWDDDSJBB-QGZVFWFLSA-N
|
| PubChem ID : |
181538
|
|
|
|
| Rotatable bond count : |
2
|
Rule of five : |
0
|
| Hydrogen bond acceptor count : |
6
|
Ionization potential : |
8.440612
|
| Hydrogen bond donor count : |
0
|
Electric dipole moment : |
2.662
|
| XLogP : |
2.914
|
VDW volume : |
330.745118
|
| Molecular weight : |
389.126323
|
HOMO-LUMO gap : |
7.529000
|
|
|
|
| Herb list : |
|
| Refrences & Litretures: |
|
|
|
|
|
|
|