N-(2H-1,3-benzodioxol-5-yl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0090 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 378.41 |
| Molecular Formula: | C19 H14 N4 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1c2c(c3ccccc3[nH]2)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2121 |
| logD: | 3.2112 |
| logSw: | -3.461 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.765 |
| InChI Key: | AROWNHFULHZGQG-UHFFFAOYSA-N |