N-[2-chloro-4-(4-cyclohexylpiperazine-1-carbonyl)-5-methoxyphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[2-chloro-4-(4-cyclohexylpiperazine-1-carbonyl)-5-methoxyphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[2-chloro-4-(4-cyclohexylpiperazine-1-carbonyl)-5-methoxyphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2764 |
| Compound Name: | N-[2-chloro-4-(4-cyclohexylpiperazine-1-carbonyl)-5-methoxyphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 494.05 |
| Molecular Formula: | C24 H32 Cl N3 O4 S |
| Smiles: | CC1=C(C(Nc2cc(c(cc2[Cl])C(N2CCN(CC2)C2CCCCC2)=O)OC)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.607 |
| logD: | 0.7265 |
| logSw: | -3.9658 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.275 |
| InChI Key: | SKABMEWGIYBBJP-UHFFFAOYSA-N |