4-methyl-5'-(4-nitrophenyl)-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]
Chemical Structure Depiction of
4-methyl-5'-(4-nitrophenyl)-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]
4-methyl-5'-(4-nitrophenyl)-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]
Compound characteristics
| Compound ID: | 1675-0080 |
| Compound Name: | 4-methyl-5'-(4-nitrophenyl)-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole] |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C28 H21 N5 O2 S |
| Smiles: | CC1c2ccccc2C2(N(c3ccccc3)N=1)N(c1ccccc1)N=C(c1ccc(cc1)[N+]([O-])=O)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0082 |
| logD: | 7.008 |
| logSw: | -5.9114 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.834 |
| InChI Key: | XLSSRPLBQGTYMQ-MUUNZHRXSA-N |