1,1'-[8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]di(ethan-1-one)
Chemical Structure Depiction of
1,1'-[8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]di(ethan-1-one)
1,1'-[8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]di(ethan-1-one)
Compound characteristics
| Compound ID: | D040-0398 |
| Compound Name: | 1,1'-[8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]di(ethan-1-one) |
| Molecular Weight: | 423.55 |
| Molecular Formula: | C22 H21 N3 O2 S2 |
| Smiles: | CC1=C(C(C)=O)SC2(N1c1ccccc1)N(c1cccc(C)c1)N=C(C(C)=O)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5057 |
| logD: | 4.5057 |
| logSw: | -4.4166 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.11 |
| InChI Key: | MISNKYJCYIVJBT-QFIPXVFZSA-N |