ethyl 2-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | E002-1481 |
| Compound Name: | ethyl 2-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 483.65 |
| Molecular Formula: | C25 H29 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(NCc1c2CCCCc2sc1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1649 |
| logD: | 5.0821 |
| logSw: | -5.3573 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.307 |
| InChI Key: | FBJCBKDDGKAOQC-UHFFFAOYSA-N |