N-(2-hydroxyethyl)-4-[2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-(2-hydroxyethyl)-4-[2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
N-(2-hydroxyethyl)-4-[2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | C604-0009 |
| Compound Name: | N-(2-hydroxyethyl)-4-[2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide |
| Molecular Weight: | 510.63 |
| Molecular Formula: | C25 H26 N4 O4 S2 |
| Smiles: | Cc1cccc(c1)NC(CSC1=Nc2c3ccccc3sc2C(N1CCCC(NCCO)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4158 |
| logD: | 2.4158 |
| logSw: | -2.8372 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.634 |
| InChI Key: | KNSCLWPBPRFYAH-UHFFFAOYSA-N |