N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)-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: | G281-1300 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide |
| Molecular Weight: | 511.64 |
| Molecular Formula: | C30 H29 N3 O3 S |
| Smiles: | Cc1cccc(c1)C1c2cccn2c2c(CN1C(Nc1ccc3c(c1)OCCO3)=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3744 |
| logD: | 6.3744 |
| logSw: | -5.4027 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.766 |
| InChI Key: | XDPKBPFBLZMPRX-NDEPHWFRSA-N |