3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-chloro-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-chloro-1,3-benzoxazol-2(3H)-one
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-chloro-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | G305-0565 |
| Compound Name: | 3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-chloro-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 429.86 |
| Molecular Formula: | C21 H20 Cl N3 O5 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(CN1C(=O)Oc2cc(ccc12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5746 |
| logD: | 2.3831 |
| logSw: | -3.2904 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.115 |
| InChI Key: | GFZSKNYCXRBCHS-UHFFFAOYSA-N |