ethyl 3-phenyl-3-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)propanoate
Chemical Structure Depiction of
ethyl 3-phenyl-3-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)propanoate
ethyl 3-phenyl-3-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)propanoate
Compound characteristics
| Compound ID: | E002-1478 |
| Compound Name: | ethyl 3-phenyl-3-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)propanoate |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | CCOC(CC(c1ccccc1)NC(NCc1c2CCCCc2sc1n1cccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.112 |
| logD: | 5.112 |
| logSw: | -4.8237 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.95 |
| InChI Key: | QQWWNNBUAHYKDO-NRFANRHFSA-N |