N-(2-chloro-4-{[3-(diethylamino)propyl]carbamoyl}-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(2-chloro-4-{[3-(diethylamino)propyl]carbamoyl}-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(2-chloro-4-{[3-(diethylamino)propyl]carbamoyl}-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2819 |
| Compound Name: | N-(2-chloro-4-{[3-(diethylamino)propyl]carbamoyl}-5-methoxyphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 456 |
| Molecular Formula: | C21 H30 Cl N3 O4 S |
| Smiles: | CCN(CC)CCCNC(c1cc(c(cc1OC)NC(C1=C(C)OCCS1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1803 |
| logD: | 3.1803 |
| logSw: | -3.5011 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.47 |
| InChI Key: | MSKVNOUNOMYLPV-UHFFFAOYSA-N |