6-[4-(4-chloro-2-methoxybenzoyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(4-chloro-2-methoxybenzoyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
6-[4-(4-chloro-2-methoxybenzoyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0112 |
| Compound Name: | 6-[4-(4-chloro-2-methoxybenzoyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 465.91 |
| Molecular Formula: | C20 H20 Cl N3 O6 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(c1ccc(cc1OC)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4938 |
| logD: | 2.4938 |
| logSw: | -3.3522 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.902 |
| InChI Key: | VJGGXAFAEMNYBS-UHFFFAOYSA-N |