1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propan-1-one
Chemical Structure Depiction of
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propan-1-one
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propan-1-one
Compound characteristics
| Compound ID: | K953-0690 |
| Compound Name: | 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propan-1-one |
| Molecular Weight: | 415.94 |
| Molecular Formula: | C21 H22 Cl N3 O2 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CCN1C(Oc2ccccc12)=S)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3658 |
| logD: | 4.3658 |
| logSw: | -4.6294 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.205 |
| InChI Key: | ZDGITRBUEXIMIO-UHFFFAOYSA-N |