methyl 2-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 2-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)benzoate
methyl 2-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | E002-1053 |
| Compound Name: | methyl 2-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamamido)benzoate |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | CC(c1c2CCCCc2sc1n1cccc1)NC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9666 |
| logD: | 4.9661 |
| logSw: | -4.5871 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.478 |
| InChI Key: | GFCKQCNFGHIICE-HNNXBMFYSA-N |