(2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(4-nitrophenyl)methanone
Chemical Structure Depiction of
(2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(4-nitrophenyl)methanone
(2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | C297-0047 |
| Compound Name: | (2-methyl-3-phenyl-4-sulfanylidene-3,4-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-5(6H)-yl)(4-nitrophenyl)methanone |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C24 H19 N3 O4 S |
| Smiles: | CC12CC(c3ccccc3O2)N(C(c2ccc(cc2)[N+]([O-])=O)=O)C(N1c1ccccc1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3438 |
| logD: | 4.3438 |
| logSw: | -4.4897 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.265 |
| InChI Key: | DJTPGCQRBRVJAO-UHFFFAOYSA-N |