N-(4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2284 |
| Compound Name: | N-(4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C20 H23 N3 O4 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2)C(NCCc2c(C)noc2C)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 1.3898 |
| logD: | 1.0805 |
| logSw: | -2.5749 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.893 |
| InChI Key: | IHWDNWHRPYNRNN-UHFFFAOYSA-N |