2-methyl-N-[4-({3-[(propan-2-yl)oxy]propyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-[4-({3-[(propan-2-yl)oxy]propyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
2-methyl-N-[4-({3-[(propan-2-yl)oxy]propyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1592 |
| Compound Name: | 2-methyl-N-[4-({3-[(propan-2-yl)oxy]propyl}carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C19 H26 N2 O4 S |
| Smiles: | CC(C)OCCCNC(c1ccc(cc1)NC(C1=C(C)OCCS1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3908 |
| logD: | 1.0815 |
| logSw: | -2.4978 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.328 |
| InChI Key: | ZVBFUHWNXSYEAQ-UHFFFAOYSA-N |