3-methyl-4-(3-methylphenyl)-N-{[2-(4-methylphenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}piperazine-1-carbothioamide
Chemical Structure Depiction of
3-methyl-4-(3-methylphenyl)-N-{[2-(4-methylphenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}piperazine-1-carbothioamide
3-methyl-4-(3-methylphenyl)-N-{[2-(4-methylphenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | C200-1611 |
| Compound Name: | 3-methyl-4-(3-methylphenyl)-N-{[2-(4-methylphenyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl]methyl}piperazine-1-carbothioamide |
| Molecular Weight: | 516.66 |
| Molecular Formula: | C29 H32 N4 O3 S |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(NCC12C=CC(C3C1C(N(C3=O)c1ccc(C)cc1)=O)O2)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8417 |
| logD: | 3.8169 |
| logSw: | -3.9496 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.695 |
| InChI Key: | KUDLOMTYVGBFDM-UHFFFAOYSA-N |