N-{4-[2-(butylamino)-2-oxoethyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{4-[2-(butylamino)-2-oxoethyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{4-[2-(butylamino)-2-oxoethyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2176 |
| Compound Name: | N-{4-[2-(butylamino)-2-oxoethyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 348.46 |
| Molecular Formula: | C18 H24 N2 O3 S |
| Smiles: | CCCCNC(Cc1ccc(cc1)NC(C1=C(C)OCCS1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7635 |
| logD: | 1.7609 |
| logSw: | -2.5846 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.913 |
| InChI Key: | AYHIQSJCMJPWOI-UHFFFAOYSA-N |