3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
Chemical Structure Depiction of
3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | F797-0321 |
| Compound Name: | 3-(8-fluoro-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide |
| Molecular Weight: | 457.48 |
| Molecular Formula: | C21 H20 F N5 O4 S |
| Smiles: | C(CN1C=Nc2c3cc(ccc3[nH]c2C1=O)F)C(NCCc1ccc(cc1)S(N)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0821 |
| logD: | 0.0814 |
| logSw: | -2.3437 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 109.192 |
| InChI Key: | VVCBFVNMMNRUNI-UHFFFAOYSA-N |