methyl 2-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 2-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)benzoate
methyl 2-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | E002-1432 |
| Compound Name: | methyl 2-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamamido)benzoate |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | COC(c1ccccc1NC(NCc1c2CCCCc2sc1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.862 |
| logD: | 4.8606 |
| logSw: | -4.58 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.315 |
| InChI Key: | UOFUWSQMMZCJCN-UHFFFAOYSA-N |