N-[(2-chlorophenyl)methyl]-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-[(2-chlorophenyl)methyl]-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0320 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C21 H19 Cl N4 O3 S |
| Smiles: | COc1cc2c3c(c(ncn3)SCC(NCc3ccccc3[Cl])=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4508 |
| logD: | 3.4497 |
| logSw: | -3.6877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.232 |
| InChI Key: | VLERFGPUAFCHTB-UHFFFAOYSA-N |