N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)-carboxamide
Compound characteristics
| Compound ID: | G281-2514 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)-carboxamide |
| Molecular Weight: | 530.62 |
| Molecular Formula: | C29 H27 F N4 O3 S |
| Smiles: | CN1CCc2c3CN(C(c4ccc(cc4)F)c4cccn4c3sc2C1)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5152 |
| logD: | 2.7513 |
| logSw: | -4.2494 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.176 |
| InChI Key: | MBFTULLTRSHRLD-MHZLTWQESA-N |