ethyl 2-[(4-ethyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(4-ethyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(4-ethyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | G281-1566 |
| Compound Name: | ethyl 2-[(4-ethyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 523.72 |
| Molecular Formula: | C28 H33 N3 O3 S2 |
| Smiles: | CCC1c2cccn2c2c(CN1C(Nc1c(C(=O)OCC)c3CCCCc3s1)=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3531 |
| logD: | 6.8745 |
| logSw: | -5.6757 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.636 |
| InChI Key: | MKKNOANGWKXPDQ-HXUWFJFHSA-N |