N-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide
Chemical Structure Depiction of
N-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide
N-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | 8016-9685 |
| Compound Name: | N-[4-(4-methoxyphenyl)piperazine-1-carbothioyl]adamantane-1-carboxamide |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C23 H31 N3 O2 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(NC(C12CC3CC(CC(C3)C2)C1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.0153 |
| logD: | 5.0114 |
| logSw: | -4.5663 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.153 |
| InChI Key: | PYCDZACSMBDTIR-UHFFFAOYSA-N |