N-[2-(benzylamino)-2-oxoethyl]-N-(4-chlorophenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[2-(benzylamino)-2-oxoethyl]-N-(4-chlorophenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[2-(benzylamino)-2-oxoethyl]-N-(4-chlorophenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | C799-0399 |
| Compound Name: | N-[2-(benzylamino)-2-oxoethyl]-N-(4-chlorophenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 416.93 |
| Molecular Formula: | C21 H21 Cl N2 O3 S |
| Smiles: | CC1=C(C(N(CC(NCc2ccccc2)=O)c2ccc(cc2)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.1593 |
| logD: | 3.1593 |
| logSw: | -3.5081 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.332 |
| InChI Key: | DGZNDJJBQQDTAC-UHFFFAOYSA-N |