ethyl 4-{[4-(2-benzyl-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-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]amino}benzoate
ethyl 4-{[4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | V016-7031 |
| Compound Name: | ethyl 4-{[4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 555.7 |
| Molecular Formula: | C31 H33 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCN(CC1)c1c2c3CCCCc3sc2nc(Cc2ccccc2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0218 |
| logD: | 6.8997 |
| logSw: | -5.9859 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.97 |
| InChI Key: | QGKLCUPNTKDAOH-UHFFFAOYSA-N |