3,3,6,6-tetramethyl-9-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
3,3,6,6-tetramethyl-9-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione--hydrogen chloride (1/1)
3,3,6,6-tetramethyl-9-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8007-8688 |
| Compound Name: | 3,3,6,6-tetramethyl-9-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 530.06 |
| Molecular Formula: | C28 H35 N3 O5 |
| Salt: | HCl |
| Smiles: | CC1(C)CC2=C(C(C3=C(CC(C)(C)CC3=O)O2)c2ccc(c(c2)[N+]([O-])=O)N2CCN(C)CC2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7284 |
| logD: | 3.2685 |
| logSw: | -4.2644 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.106 |
| InChI Key: | BEEACHYNUSEXNL-UHFFFAOYSA-N |