N-(2H-1,3-benzodioxol-5-yl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0546 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C20 H16 N4 O4 S |
| Smiles: | COc1ccc2c(c1)c1c(c(ncn1)SCC(Nc1ccc3c(c1)OCO3)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.2512 |
| logD: | 3.25 |
| logSw: | -3.5876 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.308 |
| InChI Key: | KSJJTKKOUOCOFZ-UHFFFAOYSA-N |