2-{[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
2-{[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G856-1269 |
| Compound Name: | 2-{[3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 490.97 |
| Molecular Formula: | C25 H19 Cl N4 O3 S |
| Smiles: | COc1cccc(c1)NC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7091 |
| logD: | 4.7091 |
| logSw: | -4.9239 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.811 |
| InChI Key: | PRUGNCQFVMGCKS-UHFFFAOYSA-N |