N-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide
N-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F744-0383 |
| Compound Name: | N-{2-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C21 H25 N3 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CCNC(c2ccc3c(c2)OCO3)=O)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2629 |
| logD: | 2.2614 |
| logSw: | -3.0051 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.11 |
| InChI Key: | MTKKLBWJZYTZAB-UHFFFAOYSA-N |