3-(3-methylphenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
3-(3-methylphenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
3-(3-methylphenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F369-0218 |
| Compound Name: | 3-(3-methylphenyl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one |
| Molecular Weight: | 463.62 |
| Molecular Formula: | C25 H25 N3 O2 S2 |
| Smiles: | CC1CCN(CC1)C(CN1C2=C(c3cccc(C)c3)SC(N2c2ccccc2C1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5828 |
| logD: | 4.5828 |
| logSw: | -4.415 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 34.181 |
| InChI Key: | YHOHFCTUBNBCDH-UHFFFAOYSA-N |