ethyl [(4-{[3-(morpholin-4-yl)propyl]carbamoyl}-2-nitrophenyl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(4-{[3-(morpholin-4-yl)propyl]carbamoyl}-2-nitrophenyl)sulfanyl]acetate
ethyl [(4-{[3-(morpholin-4-yl)propyl]carbamoyl}-2-nitrophenyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | K781-2115 |
| Compound Name: | ethyl [(4-{[3-(morpholin-4-yl)propyl]carbamoyl}-2-nitrophenyl)sulfanyl]acetate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C18 H25 N3 O6 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(NCCCN1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5125 |
| logD: | 1.1243 |
| logSw: | -2.5154 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.624 |
| InChI Key: | HBOIYSAQBNDWOD-UHFFFAOYSA-N |