2,7-di(azepane-1-sulfonyl)-4,5-dinitro-9H-fluoren-9-one
Chemical Structure Depiction of
2,7-di(azepane-1-sulfonyl)-4,5-dinitro-9H-fluoren-9-one
2,7-di(azepane-1-sulfonyl)-4,5-dinitro-9H-fluoren-9-one
Compound characteristics
| Compound ID: | 1509-0158 |
| Compound Name: | 2,7-di(azepane-1-sulfonyl)-4,5-dinitro-9H-fluoren-9-one |
| Molecular Weight: | 592.65 |
| Molecular Formula: | C25 H28 N4 O9 S2 |
| Smiles: | C1CCCN(CC1)S(c1cc2C(c3cc(cc(c3c2c(c1)[N+]([O-])=O)[N+]([O-])=O)S(N1CCCCCC1)(=O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1667 |
| logD: | 4.1667 |
| logSw: | -4.3193 |
| Hydrogen bond acceptors count: | 20 |
| Polar surface area: | 143.645 |
| InChI Key: | NHBLVOVKYNNUNP-UHFFFAOYSA-N |