N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-methyl-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-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0183 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | Cc1ccc2c(c1)c1c(c(ncn1)SCC(Nc1ccc3c(c1)OCCO3)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.8203 |
| logD: | 2.8185 |
| logSw: | -3.1612 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.472 |
| InChI Key: | IHZCEPUDEZKYBM-UHFFFAOYSA-N |