ethyl 2-[(4-methyl-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-methyl-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-methyl-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: | G281-1649 |
| Compound Name: | ethyl 2-[(4-methyl-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: | 509.69 |
| Molecular Formula: | C27 H31 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(N1Cc2c3CCCCc3sc2n2cccc2C1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7182 |
| logD: | 6.2396 |
| logSw: | -5.6383 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.274 |
| InChI Key: | FLUYOCCANCIKHS-MRXNPFEDSA-N |