4-{2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-cyclohexylbutanamide
Chemical Structure Depiction of
4-{2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-cyclohexylbutanamide
4-{2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-cyclohexylbutanamide
Compound characteristics
| Compound ID: | C200-2022 |
| Compound Name: | 4-{2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-cyclohexylbutanamide |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C22 H26 N4 O3 S2 |
| Smiles: | C1CCC(CC1)NC(CCCN1C(=Nc2c3ccccc3sc2C1=O)SCC(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6105 |
| logD: | 2.6105 |
| logSw: | -3.0106 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.1 |
| InChI Key: | IMGJZTLDOWSEQX-UHFFFAOYSA-N |