2,2-dimethyl-5-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2,2-dimethyl-5-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8008-5562 |
| Compound Name: | 2,2-dimethyl-5-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 528.65 |
| Molecular Formula: | C28 H24 N4 O3 S2 |
| Smiles: | Cc1nnc(Sc2ccc(cc2[N+]([O-])=O)C2C3=C(CC(C)(C)CC3=O)c3c(ccc4ccccc34)N2)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6074 |
| logD: | 6.6074 |
| logSw: | -6.8122 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.412 |
| InChI Key: | LOZAIAOUZRAGDG-SANMLTNESA-N |