ethyl 3-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)benzoate
Chemical Structure Depiction of
ethyl 3-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)benzoate
ethyl 3-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | E002-1007 |
| Compound Name: | ethyl 3-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)benzoate |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | CCOC(c1cccc(c1)NC(NC(C)c1c2CCCCc2sc1n1cccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0231 |
| logD: | 6.0231 |
| logSw: | -5.3607 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.756 |
| InChI Key: | QNQLJDIGFRJCPH-INIZCTEOSA-N |