N-[(4-chlorophenyl)methyl]-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-[(4-chlorophenyl)methyl]-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0597 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 412.9 |
| Molecular Formula: | C20 H17 Cl N4 O2 S |
| Smiles: | COc1ccc2c(c1)c1c(c(ncn1)SCC(NCc1ccc(cc1)[Cl])=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.6941 |
| logD: | 3.693 |
| logSw: | -4.2851 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.515 |
| InChI Key: | XMACOZQUHNHGRZ-UHFFFAOYSA-N |