ethyl 4-{[4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]amino}benzoate
ethyl 4-{[4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | V016-6987 |
| Compound Name: | ethyl 4-{[4-(2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C26 H31 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCc1nc(c2c3CCCCc3sc2n1)N1CCN(CC1)C(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9322 |
| logD: | 5.5026 |
| logSw: | -5.6629 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.242 |
| InChI Key: | XTZFBPWVXLTEAQ-UHFFFAOYSA-N |