N-(3-chloro-4-methylphenyl)-2-({7-[(4-methoxyphenyl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)butanamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-({7-[(4-methoxyphenyl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)butanamide
N-(3-chloro-4-methylphenyl)-2-({7-[(4-methoxyphenyl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)butanamide
Compound characteristics
| Compound ID: | K284-6165 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-({7-[(4-methoxyphenyl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)butanamide |
| Molecular Weight: | 552.05 |
| Molecular Formula: | C28 H26 Cl N3 O5 S |
| Smiles: | CCC(C(Nc1ccc(C)c(c1)[Cl])=O)SC1=Nc2cc3c(cc2C(N1Cc1ccc(cc1)OC)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1165 |
| logD: | 7.1162 |
| logSw: | -6.4384 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.793 |
| InChI Key: | AUIIKFXQFXNSKX-VWLOTQADSA-N |