N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C700-0954 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 380.44 |
| Molecular Formula: | C16 H16 N2 O5 S2 |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(CSc1ccsc1[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0143 |
| logD: | 2.0143 |
| logSw: | -2.7233 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.875 |
| InChI Key: | OJQHYIQGAYSHIX-JTQLQIEISA-N |