ethyl 2-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)benzoate
Chemical Structure Depiction of
ethyl 2-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)benzoate
ethyl 2-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | E002-1454 |
| Compound Name: | ethyl 2-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)benzoate |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | CCOC(c1ccccc1NC(NCc1c2CCCCc2sc1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4056 |
| logD: | 5.4042 |
| logSw: | -5.275 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.895 |
| InChI Key: | QYVXZAQQBLRSRT-UHFFFAOYSA-N |