N-(5-chloro-2-methoxyphenyl)-2-({6,7-dimethoxy-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)butanamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-({6,7-dimethoxy-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)butanamide
N-(5-chloro-2-methoxyphenyl)-2-({6,7-dimethoxy-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)butanamide
Compound characteristics
| Compound ID: | K284-6012 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-({6,7-dimethoxy-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)butanamide |
| Molecular Weight: | 647.17 |
| Molecular Formula: | C29 H31 Cl N4 O7 S2 |
| Smiles: | CCC(C(Nc1cc(ccc1OC)[Cl])=O)SC1=Nc2cc(c(cc2C(N1CCc1ccc(cc1)S(N)(=O)=O)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4426 |
| logD: | 4.4365 |
| logSw: | -4.6348 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.909 |
| InChI Key: | ZCEMQJDKTSESEI-SANMLTNESA-N |