methyl N-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamoyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamoyl)-beta-alaninate
methyl N-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamoyl)-beta-alaninate
Compound characteristics
| Compound ID: | E002-1482 |
| Compound Name: | methyl N-({[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}carbamoyl)-beta-alaninate |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | COC(CCNC(NCc1c2CCCCc2sc1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8023 |
| logD: | 2.8023 |
| logSw: | -3.0838 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.853 |
| InChI Key: | HFBSYPYLZYIQKZ-UHFFFAOYSA-N |