N-{2-[(2-{[2-(4-chlorophenoxy)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{2-[(2-{[2-(4-chlorophenoxy)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
N-{2-[(2-{[2-(4-chlorophenoxy)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8010-5809 |
| Compound Name: | N-{2-[(2-{[2-(4-chlorophenoxy)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 748.36 |
| Molecular Formula: | C35 H30 Cl N5 O4 S4 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCC(Nc1ccc2c(c1)sc(n2)SCC(NCCOc1ccc(cc1)[Cl])=O)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.529 |
| logD: | 7.529 |
| logSw: | -6.7232 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.672 |
| InChI Key: | CXLNWYLIRSUKEH-UHFFFAOYSA-N |