N-(1,3-benzothiazol-2-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-(1,3-benzothiazol-2-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-1050 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 513.6 |
| Molecular Formula: | C26 H19 N5 O3 S2 |
| Smiles: | COc1ccc(cc1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(Nc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8 |
| logD: | 4.8 |
| logSw: | -4.8319 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.572 |
| InChI Key: | YUCICYKICSIPTQ-UHFFFAOYSA-N |