N-[2-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[2-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[2-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2425 |
| Compound Name: | N-[2-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}carbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 484.59 |
| Molecular Formula: | C25 H29 F N4 O3 S |
| Smiles: | CC1=C(C(Nc2ccccc2C(NCCN2CCN(CC2)c2ccccc2F)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.4319 |
| logD: | 2.0213 |
| logSw: | -3.0761 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.099 |
| InChI Key: | NFGJXSJIPBQFRC-UHFFFAOYSA-N |