N-{4-chloro-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{4-chloro-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{4-chloro-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0335 |
| Compound Name: | N-{4-chloro-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 475.95 |
| Molecular Formula: | C22 H22 Cl N3 O5 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2C(N2CCN(CC2)C(c2ccco2)=O)=O)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 1.7733 |
| logD: | -0.7598 |
| logSw: | -3.1294 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.585 |
| InChI Key: | DFPOGAFKAOOUBM-UHFFFAOYSA-N |