N-[(5-bromo-2-methoxyphenyl)methyl]-4-(6,8-dioxo-5,6-dihydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazin-7(8H)-yl)benzamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(6,8-dioxo-5,6-dihydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazin-7(8H)-yl)benzamide
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(6,8-dioxo-5,6-dihydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazin-7(8H)-yl)benzamide
Compound characteristics
| Compound ID: | C795-0555 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-4-(6,8-dioxo-5,6-dihydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazin-7(8H)-yl)benzamide |
| Molecular Weight: | 524.39 |
| Molecular Formula: | C24 H18 Br N3 O4 S |
| Smiles: | COc1ccc(cc1CNC(c1ccc(cc1)N1C(Cn2c(cc3c2ccs3)C1=O)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.5432 |
| logD: | 3.5431 |
| logSw: | -3.8067 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.519 |
| InChI Key: | XFIPTRLPUQUBMR-UHFFFAOYSA-N |