N-(2H-1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[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-(3-methoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G281-1136 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-(3-methoxyphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide |
| Molecular Weight: | 513.62 |
| Molecular Formula: | C29 H27 N3 O4 S |
| Smiles: | COc1cccc(c1)C1c2cccn2c2c(CN1C(Nc1ccc3c(c1)OCO3)=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7171 |
| logD: | 6.7171 |
| logSw: | -5.6242 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.603 |
| InChI Key: | WSCOTKRUUVOGFY-MHZLTWQESA-N |