ethyl [4-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)phenyl]acetate
Chemical Structure Depiction of
ethyl [4-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)phenyl]acetate
ethyl [4-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)phenyl]acetate
Compound characteristics
| Compound ID: | E002-1036 |
| Compound Name: | ethyl [4-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)phenyl]acetate |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | CCOC(Cc1ccc(cc1)NC(NC(C)c1c2CCCCc2sc1n1cccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2964 |
| logD: | 5.2964 |
| logSw: | -5.0455 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.161 |
| InChI Key: | GLSJCWMAWHDYAW-KRWDZBQOSA-N |