N-(2-{[3-(4-cyclohexylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(2-{[3-(4-cyclohexylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(2-{[3-(4-cyclohexylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0258 |
| Compound Name: | N-(2-{[3-(4-cyclohexylpiperazin-1-yl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 486.68 |
| Molecular Formula: | C26 H38 N4 O3 S |
| Smiles: | CC1=C(C(Nc2ccccc2C(NCCCN2CCN(CC2)C2CCCCC2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.3984 |
| logD: | 2.3984 |
| logSw: | -3.0191 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.233 |
| InChI Key: | BRCIAWALKRWVTC-UHFFFAOYSA-N |