6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0069 |
| Compound Name: | 6-[4-(2H-1,3-benzodioxole-5-carbonyl)piperazine-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 445.45 |
| Molecular Formula: | C20 H19 N3 O7 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3368 |
| logD: | 1.3368 |
| logSw: | -2.4565 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.387 |
| InChI Key: | LZNUYCJLUCMEPU-UHFFFAOYSA-N |