methyl 2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8017-5268 |
| Compound Name: | methyl 2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 261.34 |
| Molecular Formula: | C14 H15 N O2 S |
| Smiles: | COC(c1c2CCCCc2sc1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8055 |
| logD: | 3.8055 |
| logSw: | -4.0974 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.3876 |
| InChI Key: | PTZWYJMXXVHBHQ-UHFFFAOYSA-N |