methyl 4-{3-[4-(adamantan-1-yl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-[4-(adamantan-1-yl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
methyl 4-{3-[4-(adamantan-1-yl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | 8012-6243 |
| Compound Name: | methyl 4-{3-[4-(adamantan-1-yl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C26 H33 N3 O4 |
| Smiles: | COC(c1ccc(cc1)N1C(CC(C1=O)N1CCN(CC1)C12CC3CC(CC(C3)C2)C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2041 |
| logD: | 3.1088 |
| logSw: | -3.2137 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.114 |
| InChI Key: | VCGQRVLMKIIIOV-OMQIJLIKSA-N |