3-methyl-6-[4-(3-methylbenzoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-[4-(3-methylbenzoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
3-methyl-6-[4-(3-methylbenzoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0073 |
| Compound Name: | 3-methyl-6-[4-(3-methylbenzoyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C20 H21 N3 O5 S |
| Smiles: | Cc1cccc(c1)C(N1CCN(CC1)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7855 |
| logD: | 1.7855 |
| logSw: | -2.5932 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.271 |
| InChI Key: | DAOCVHALPGWJHA-UHFFFAOYSA-N |