methyl 3-(2-chloro-5-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(2-chloro-5-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate
methyl 3-(2-chloro-5-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 2513-1288 |
| Compound Name: | methyl 3-(2-chloro-5-nitrobenzamido)-4,5-dihydrothiophene-2-carboxylate |
| Molecular Weight: | 342.76 |
| Molecular Formula: | C13 H11 Cl N2 O5 S |
| Smiles: | COC(C1=C(CCS1)NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4096 |
| logD: | -2.4004 |
| logSw: | -3.6351 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.252 |
| InChI Key: | KLDYSWUSKSTUDB-UHFFFAOYSA-N |