6-chloro-3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-chloro-3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
6-chloro-3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | G305-0489 |
| Compound Name: | 6-chloro-3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 399.88 |
| Molecular Formula: | C21 H22 Cl N3 O3 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CN1C(=O)Oc2cc(ccc12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1804 |
| logD: | 4.1803 |
| logSw: | -4.5298 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.419 |
| InChI Key: | PPFGMDOHVCOFNA-UHFFFAOYSA-N |