3-ethyl-6-[4-(3-methylbenzoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-ethyl-6-[4-(3-methylbenzoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
3-ethyl-6-[4-(3-methylbenzoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0222 |
| Compound Name: | 3-ethyl-6-[4-(3-methylbenzoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | CCN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(c1cccc(C)c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2868 |
| logD: | 2.2868 |
| logSw: | -2.6967 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.23 |
| InChI Key: | QYVMIGXJDABOIU-UHFFFAOYSA-N |