4-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-chlorophenyl)-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-chlorophenyl)-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
4-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-chlorophenyl)-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F369-0023 |
| Compound Name: | 4-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-chlorophenyl)-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one |
| Molecular Weight: | 484.04 |
| Molecular Formula: | C24 H22 Cl N3 O2 S2 |
| Smiles: | C1CCCN(CC1)C(CN1C2=C(c3ccc(cc3)[Cl])SC(N2c2ccccc2C1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0369 |
| logD: | 5.0369 |
| logSw: | -5.12 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 34.512 |
| InChI Key: | YRUFMWWUEXHHDZ-UHFFFAOYSA-N |