ethyl {[4-(4-methylpiperazine-1-carbonyl)-2-nitrophenyl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-(4-methylpiperazine-1-carbonyl)-2-nitrophenyl]sulfanyl}acetate
ethyl {[4-(4-methylpiperazine-1-carbonyl)-2-nitrophenyl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K781-2117 |
| Compound Name: | ethyl {[4-(4-methylpiperazine-1-carbonyl)-2-nitrophenyl]sulfanyl}acetate |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C16 H21 N3 O5 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(N1CCN(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4662 |
| logD: | 1.3355 |
| logSw: | -2.3729 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.603 |
| InChI Key: | TVSGVDSVADJHML-UHFFFAOYSA-N |