methyl N-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamoyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamoyl)-beta-alaninate
methyl N-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamoyl)-beta-alaninate
Compound characteristics
| Compound ID: | E002-1005 |
| Compound Name: | methyl N-({1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}carbamoyl)-beta-alaninate |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C19 H25 N3 O3 S |
| Smiles: | CC(c1c2CCCCc2sc1n1cccc1)NC(NCCC(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1037 |
| logD: | 3.1037 |
| logSw: | -3.3014 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.016 |
| InChI Key: | ILXUZTIZUOGVCA-ZDUSSCGKSA-N |