6-{4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-{4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0052 |
| Compound Name: | 6-{4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C23 H25 N3 O7 S |
| Smiles: | COc1ccc(/C=C/C(N2CCN(CC2)S(c2ccc3c(c2)NC(CO3)=O)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.4103 |
| logD: | 1.4101 |
| logSw: | -2.6182 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.409 |
| InChI Key: | RFPVLKNNUHQICO-UHFFFAOYSA-N |