methyl 3-{[4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G281-2534 |
| Compound Name: | methyl 3-{[4-(4-fluorophenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 536.65 |
| Molecular Formula: | C27 H25 F N4 O3 S2 |
| Smiles: | CN1CCc2c3CN(C(c4ccc(cc4)F)c4cccn4c3sc2C1)C(Nc1ccsc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.357 |
| logD: | 3.5932 |
| logSw: | -5.339 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.848 |
| InChI Key: | XKRXPMCLZVQJFX-QHCPKHFHSA-N |