N-(2-chloro-5-methoxy-4-{[3-(propylsulfanyl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(2-chloro-5-methoxy-4-{[3-(propylsulfanyl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(2-chloro-5-methoxy-4-{[3-(propylsulfanyl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2966 |
| Compound Name: | N-(2-chloro-5-methoxy-4-{[3-(propylsulfanyl)propyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 459.03 |
| Molecular Formula: | C20 H27 Cl N2 O4 S2 |
| Smiles: | CCCSCCCNC(c1cc(c(cc1OC)NC(C1=C(C)OCCS1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7491 |
| logD: | 0.8686 |
| logSw: | -4.0894 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.059 |
| InChI Key: | MQCBZWNCGGISQX-UHFFFAOYSA-N |