N-(4-chloro-2-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-chloro-2-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-chloro-2-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0461 |
| Compound Name: | N-(4-chloro-2-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 420.96 |
| Molecular Formula: | C21 H25 Cl N2 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2C(NCCC2CCCCC=2)=O)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.5474 |
| logD: | 1.5492 |
| logSw: | -4.0454 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.349 |
| InChI Key: | KTDUXONAYXQNES-UHFFFAOYSA-N |