N-(4-bromophenyl)-2-[(3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[(3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
N-(4-bromophenyl)-2-[(3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8640-0140 |
| Compound Name: | N-(4-bromophenyl)-2-[(3-ethyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 493.44 |
| Molecular Formula: | C20 H21 Br N4 O2 S2 |
| Smiles: | [H]N(C(CSC1=Nc2c(C(N1CC)=O)c1CCN(C)Cc1s2)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.6775 |
| logD: | 3.6672 |
| logSw: | -4.1131 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.15 |
| InChI Key: | HCIUYGQWQIFWSE-UHFFFAOYSA-N |