N-(4-bromophenyl)-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-(4-bromophenyl)-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-(4-bromophenyl)-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: | G281-1116 |
| Compound Name: | N-(4-bromophenyl)-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: | 548.5 |
| Molecular Formula: | C28 H26 Br N3 O2 S |
| Smiles: | COc1cccc(c1)C1c2cccn2c2c(CN1C(Nc1ccc(cc1)[Br])=O)c1CCCCc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.7178 |
| logD: | 7.7178 |
| logSw: | -5.6524 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.487 |
| InChI Key: | HJVSMUCLXMYRBK-AREMUKBSSA-N |