2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F394-0402 |
| Compound Name: | 2-(3-benzyl-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(5-chloro-2-methoxyphenyl)acetamide |
| Molecular Weight: | 486.96 |
| Molecular Formula: | C27 H23 Cl N4 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3ccccc3)C=N1)=O)n2CC(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7796 |
| logD: | 4.7699 |
| logSw: | -4.8542 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.01 |
| InChI Key: | VUGYQHNQRZJNOB-UHFFFAOYSA-N |