N-(5-{[3-(diethylamino)propyl]carbamoyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(5-{[3-(diethylamino)propyl]carbamoyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(5-{[3-(diethylamino)propyl]carbamoyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1223 |
| Compound Name: | N-(5-{[3-(diethylamino)propyl]carbamoyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 405.56 |
| Molecular Formula: | C21 H31 N3 O3 S |
| Smiles: | CCN(CC)CCCNC(c1ccc(C)c(c1)NC(C1=C(C)OCCS1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8442 |
| logD: | -0.8769 |
| logSw: | -2.605 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.84 |
| InChI Key: | QUKDUIQAIWOFFF-UHFFFAOYSA-N |