2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | M060-0403 |
| Compound Name: | 2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | COc1cccc(CNC(CSc2c3c(c4cc(c(cc4[nH]3)OC)OC)ncn2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7661 |
| logD: | 2.765 |
| logSw: | -3.1141 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.776 |
| InChI Key: | ALQSRTQHDWPGPZ-UHFFFAOYSA-N |