[4-(2-benzyl-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](3-nitrophenyl)methanone
Chemical Structure Depiction of
[4-(2-benzyl-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](3-nitrophenyl)methanone
[4-(2-benzyl-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V011-4117 |
| Compound Name: | [4-(2-benzyl-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](3-nitrophenyl)methanone |
| Molecular Weight: | 542.66 |
| Molecular Formula: | C29 H30 N6 O3 S |
| Salt: | not_available |
| Smiles: | CCN1CCc2c3c(nc(Cc4ccccc4)nc3sc2C1)N1CCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1542 |
| logD: | 5.0769 |
| logSw: | -5.2754 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.247 |
| InChI Key: | RHZLMBJVRGAFRB-UHFFFAOYSA-N |