N-(2-methoxy-5-methylphenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-methoxy-5-methylphenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(2-methoxy-5-methylphenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0100 |
| Compound Name: | N-(2-methoxy-5-methylphenyl)-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C20 H18 N4 O2 S |
| Smiles: | Cc1ccc(c(c1)NC(CSc1c2c(c3ccccc3[nH]2)ncn1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2159 |
| logD: | 3.215 |
| logSw: | -3.4366 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.582 |
| InChI Key: | JQIHMBKCVNUPNO-UHFFFAOYSA-N |