N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{1-[(2-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{1-[(2-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{1-[(2-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide
Compound characteristics
| Compound ID: | Y020-7527 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{1-[(2-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}acetamide |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C22 H24 N4 O5 S |
| Smiles: | COc1ccccc1NC(N1CCNC(C1CC(Nc1ccc2c(c1)OCCO2)=O)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5044 |
| logD: | 1.5043 |
| logSw: | -2.4298 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.321 |
| InChI Key: | JBRFRMBNTPHHQT-INIZCTEOSA-N |