N-(3-{[(4-butoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(3-{[(4-butoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(3-{[(4-butoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0655 |
| Compound Name: | N-(3-{[(4-butoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C23 H26 N2 O4 S |
| Smiles: | CCCCOc1ccc(CNC(c2cccc(c2)NC(C2=CSCCO2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0976 |
| logD: | 4.0946 |
| logSw: | -4.0976 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.789 |
| InChI Key: | PTMMENZKWGFSNM-UHFFFAOYSA-N |