N-(5-chloro-2-methoxyphenyl)-2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
N-(5-chloro-2-methoxyphenyl)-2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | L880-0052 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 486.98 |
| Molecular Formula: | C23 H23 Cl N4 O4 S |
| Smiles: | CCN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCC(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.774 |
| logD: | 3.7719 |
| logSw: | -4.3152 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.064 |
| InChI Key: | IBRCIFJJXQXQNS-UHFFFAOYSA-N |