ethyl [4-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)phenyl]acetate
Chemical Structure Depiction of
ethyl [4-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)phenyl]acetate
ethyl [4-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)phenyl]acetate
Compound characteristics
| Compound ID: | E002-1472 |
| Compound Name: | ethyl [4-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)phenyl]acetate |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | CCOC(Cc1ccc(cc1)NC(NCc1c2CCCCc2sc1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1917 |
| logD: | 5.1917 |
| logSw: | -4.8805 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.998 |
| InChI Key: | JDPVOFHAWXEUGM-UHFFFAOYSA-N |