3-methyl-6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
3-methyl-6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0011 |
| Compound Name: | 3-methyl-6-[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 469.47 |
| Molecular Formula: | C22 H19 N3 O7 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(C1=Cc2ccccc2OC1=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4845 |
| logD: | 1.4845 |
| logSw: | -2.4786 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 92.193 |
| InChI Key: | NSGVURINJIRKJF-UHFFFAOYSA-N |