N-[3-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[3-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[3-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0851 |
| Compound Name: | N-[3-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 429.58 |
| Molecular Formula: | C23 H31 N3 O3 S |
| Smiles: | CC1=C(C(Nc2cccc(c2)C(N2CCN(CC2)C2CCCCC2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.5135 |
| logD: | 2.3498 |
| logSw: | -2.9639 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.342 |
| InChI Key: | TWZXNJJIKCXULM-UHFFFAOYSA-N |