methyl 4-methyl-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Chemical Structure Depiction of
methyl 4-methyl-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
methyl 4-methyl-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
Compound characteristics
| Compound ID: | 8013-0160 |
| Compound Name: | methyl 4-methyl-3'-(4-nitrophenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate |
| Molecular Weight: | 473.51 |
| Molecular Formula: | C24 H19 N5 O4 S |
| Smiles: | CC1c2ccccc2C2(N(c3ccccc3)N=1)N(c1ccc(cc1)[N+]([O-])=O)N=C(C(=O)OC)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3694 |
| logD: | 5.3693 |
| logSw: | -5.5086 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.28 |
| InChI Key: | XOIIBHMUAGRWHD-XMMPIXPASA-N |