| CAS Number | 1169705-95-6 |
| Catalog Number | AG00HDRF(AGN-PC-0WG45P) |
| Chemical Name | 9-(tert-Butyl)-7,12-dihydrobenzo[2,3]azepino[4,5-b]indol-6(5H)-one |
| IUPAC Name | 9-tert-butyl-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one |
| InChI | InChI=1S/C20H20N2O/c1-20(2,3)12-8-9-17-14(10-12)15-11-18(23)21-16-7-5-4-6-13(16)19(15)22-17/h4-10,22H,11H2,1-3H3,(H,21,23) |
| InChI Key | FSBVDCKGYBXQAE-UHFFFAOYSA-N |
| MDL Number | MFCD29917024 |
| Molecular Formula | C20H20N2O |
| Molecular Weight | 304.3856 |
| SMILES | O=C1Nc2ccccc2c2c(C1)c1cc(ccc1[nH]2)C(C)(C)C |
| Synonyms | 1169705-95-6,
9-(tert-Butyl)-7,12-dihydrobenzo[2,3]azepino[4,5-b]indol-6(5H)-one,
MFCD29917024,
ZINC306145191,
CS-0037398,
9-(t-Butyl)-7,12-dihydrobenzo[2,3]azepino[4,5-b]indol-6(5H)-one,
9-tert-butyl-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one,
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| Complexity | 469 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.393g/mol |
| Monoisotopic Mass | 304.158g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number