N-(3-chloro-4-methoxyphenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(3-chloro-4-methoxyphenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0025 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 398.87 |
| Molecular Formula: | C19 H15 Cl N4 O2 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CSc1c2c(c3ccccc3[nH]2)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8896 |
| logD: | 3.8884 |
| logSw: | -4.2961 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.279 |
| InChI Key: | HKSHBKQZHRZKAR-UHFFFAOYSA-N |