ethyl 2-[(1-ethyl-6-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1-ethyl-6-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(1-ethyl-6-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | E002-1134 |
| Compound Name: | ethyl 2-[(1-ethyl-6-methyl-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Smiles: | CCC1c2ccc(C)n2CCN1C(Nc1c(C(=O)OCC)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8996 |
| logD: | 4.1556 |
| logSw: | -4.6095 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.827 |
| InChI Key: | BKOMRFATGROQOX-INIZCTEOSA-N |