N-{4-chloro-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-{4-chloro-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-{4-chloro-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0314 |
| Compound Name: | N-{4-chloro-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 486.03 |
| Molecular Formula: | C25 H28 Cl N3 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2C(N2CCN(CC2)c2cc(C)ccc2C)=O)[Cl])=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 4.3583 |
| logD: | 1.8253 |
| logSw: | -4.5066 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.51 |
| InChI Key: | CTGCKLBYWOLQFX-UHFFFAOYSA-N |