N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0554 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C21 H18 N4 O4 S |
| Smiles: | COc1ccc2c(c1)c1c(c(ncn1)SCC(Nc1ccc3c(c1)OCCO3)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.3907 |
| logD: | 2.3895 |
| logSw: | -2.9602 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.016 |
| InChI Key: | NWAJFYSPDBYGOF-UHFFFAOYSA-N |