N-[5-(4-cyclohexylpiperazine-1-carbonyl)-2-methylphenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-[5-(4-cyclohexylpiperazine-1-carbonyl)-2-methylphenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-[5-(4-cyclohexylpiperazine-1-carbonyl)-2-methylphenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-1358 |
| Compound Name: | N-[5-(4-cyclohexylpiperazine-1-carbonyl)-2-methylphenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 429.58 |
| Molecular Formula: | C23 H31 N3 O3 S |
| Smiles: | Cc1ccc(cc1NC(C1=CSCCO1)=O)C(N1CCN(CC1)C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.633 |
| logD: | 2.4697 |
| logSw: | -3.0365 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.002 |
| InChI Key: | BGSJMJWZVGTERC-UHFFFAOYSA-N |