N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0393 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | COc1cc2c3c(c(ncn3)SCC(Nc3ccc4c(c3)OCCO4)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.96 |
| logD: | 1.9589 |
| logSw: | -2.7855 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.733 |
| InChI Key: | PTWMFVCMKCFWEA-UHFFFAOYSA-N |