N-benzyl-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-benzyl-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-0959 |
| Compound Name: | N-benzyl-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 468.58 |
| Molecular Formula: | C27 H24 N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7645 |
| logD: | 4.7645 |
| logSw: | -4.8257 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.589 |
| InChI Key: | VCWFMIKFPHHJEL-UHFFFAOYSA-N |