propan-2-yl [4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]acetate
Chemical Structure Depiction of
propan-2-yl [4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]acetate
propan-2-yl [4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]acetate
Compound characteristics
| Compound ID: | K940-0337 |
| Compound Name: | propan-2-yl [4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]acetate |
| Molecular Weight: | 371.41 |
| Molecular Formula: | C15 H21 N3 O6 S |
| Smiles: | CC(C)OC(CN1CCN(CC1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3646 |
| logD: | 1.3645 |
| logSw: | -2.4793 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 88.981 |
| InChI Key: | ZJCVDBXEQMNVHF-UHFFFAOYSA-N |