ethyl 2-({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C794-0987 |
| Compound Name: | ethyl 2-({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 471.64 |
| Molecular Formula: | C24 H29 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(NC(C)c1c(C)c(C)sc1n1cccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.812 |
| logD: | 5.1161 |
| logSw: | -5.3345 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.55 |
| InChI Key: | XUTPJSLAQRIQPJ-HNNXBMFYSA-N |