N-(2H-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-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-(2H-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-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-(2H-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-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: | G281-2319 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-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: | 528.63 |
| Molecular Formula: | C29 H28 N4 O4 S |
| Smiles: | CN1CCc2c3CN(C(c4ccc(cc4)OC)c4cccn4c3sc2C1)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.329 |
| logD: | 3.5652 |
| logSw: | -5.3582 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.013 |
| InChI Key: | LODYCJMUZCMJKL-MHZLTWQESA-N |