N-[2-chloro-5-methoxy-4-(4-phenylpiperazine-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[2-chloro-5-methoxy-4-(4-phenylpiperazine-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[2-chloro-5-methoxy-4-(4-phenylpiperazine-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2762 |
| Compound Name: | N-[2-chloro-5-methoxy-4-(4-phenylpiperazine-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 488 |
| Molecular Formula: | C24 H26 Cl N3 O4 S |
| Smiles: | CC1=C(C(Nc2cc(c(cc2[Cl])C(N2CCN(CC2)c2ccccc2)=O)OC)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.5852 |
| logD: | 0.7047 |
| logSw: | -3.9959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.442 |
| InChI Key: | YURDDPZJSGRWQS-UHFFFAOYSA-N |