methyl 3-[(3-methyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(3-methyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]thiophene-2-carboxylate
methyl 3-[(3-methyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G544-0739 |
| Compound Name: | methyl 3-[(3-methyl-1,6-diphenyl-1,4-dihydropyrazolo[4,3-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 523.61 |
| Molecular Formula: | C29 H25 N5 O3 S |
| Smiles: | Cc1c2CN(C(c3ccccc3)c3cccn3c2n(c2ccccc2)n1)C(Nc1ccsc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8611 |
| logD: | 5.8608 |
| logSw: | -5.5814 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.49 |
| InChI Key: | COROCYQZXNQWQK-RUZDIDTESA-N |