N-(3-{[2-(3-methoxyphenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(3-{[2-(3-methoxyphenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(3-{[2-(3-methoxyphenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | C799-0523 |
| Compound Name: | N-(3-{[2-(3-methoxyphenyl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C22 H24 N2 O4 S |
| Smiles: | CC1=C(C(Nc2cccc(c2)C(NCCc2cccc(c2)OC)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.4583 |
| logD: | 2.4514 |
| logSw: | -2.9124 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.399 |
| InChI Key: | RLLNORBEDMODKM-UHFFFAOYSA-N |