6-[4-(2,3-dimethoxybenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(2,3-dimethoxybenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-[4-(2,3-dimethoxybenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0050 |
| Compound Name: | 6-[4-(2,3-dimethoxybenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C21 H23 N3 O7 S |
| Smiles: | COc1cccc(C(N2CCN(CC2)S(c2ccc3c(c2)NC(CO3)=O)(=O)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 0.995 |
| logD: | 0.9948 |
| logSw: | -2.5653 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.023 |
| InChI Key: | XNLPEHVSZNSOCO-UHFFFAOYSA-N |