7-({4-[3-methyl-4-(3-methylphenyl)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-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl}methyl)-6-sulfanylidene-6,7-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
7-({4-[3-methyl-4-(3-methylphenyl)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: | K284-5436 |
| Compound Name: | 7-({4-[3-methyl-4-(3-methylphenyl)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: | CC1CN(CCN1c1cccc(C)c1)C(c1ccc(CN2C(c3cc4c(cc3NC2=S)OCO4)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7792 |
| logD: | 4.7722 |
| logSw: | -4.4015 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.56 |
| InChI Key: | CBTXGMFVBORXTP-IBGZPJMESA-N |