| CAS Number | 871915-77-4 |
| Catalog Number | AG00IMFX(AGN-PC-0WOJQ8) |
| Chemical Name | N-[(11bS)-4,5-Dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepin-2-yl]trifluoromethanesulfonamide |
| IUPAC Name | N-(13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl)-1,1,1-trifluoromethanesulfonamide |
| InChI | InChI=1S/C23H17F3N2O2S/c24-23(25,26)31(29,30)28-20-11-15-6-2-4-8-18(15)22-19(20)13-27-12-16-10-9-14-5-1-3-7-17(14)21(16)22/h1-11,27-28H,12-13H2 |
| InChI Key | FUXIMCCGGZIJJQ-UHFFFAOYSA-N |
| MDL Number | MFCD30475651 |
| Molecular Formula | C23H17F3N2O2S |
| Molecular Weight | 442.4535 |
| SMILES | FC(F)(F)S(=O)(=O)NC1=CC2=C(CC1)CC=C1C=NC=C3C=CC4=CC=CC=C4C3=C21 |
| Synonyms | N-[(11bS)-4,5-Dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepin-2-yl]trifluoromethanesulfonamide,
871915-77-4,
SCHEMBL14847735,
D4663,
(aS)-2-(Trifluoromethylsulfonylamino)-3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]azepine,
3-(Trifluoromethanesulfonylamino)-2,2'-(iminobismethylene)-1,1'-binaphthalene,
CID11583051,
CID 11583051,
|
| Complexity | 753 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 442.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 442.456g/mol |
| Monoisotopic Mass | 442.096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number