7-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Chemical Structure Depiction of
7-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | K284-5433 |
| Compound Name: | 7-({4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one |
| Molecular Weight: | 528.63 |
| Molecular Formula: | C29 H28 N4 O4 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0573 |
| logD: | 5.0502 |
| logSw: | -4.5108 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.041 |
| InChI Key: | GBRQGMQCSIFLSD-UHFFFAOYSA-N |