3-(azepane-1-carbonyl)-7-chloro-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-7-chloro-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
3-(azepane-1-carbonyl)-7-chloro-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F083-0047 |
| Compound Name: | 3-(azepane-1-carbonyl)-7-chloro-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one |
| Molecular Weight: | 393.91 |
| Molecular Formula: | C17 H16 Cl N3 O2 S2 |
| Smiles: | C1CCCN(CC1)C(C1=C2NC(c3cc(ccc3N2C(=S)S1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4393 |
| logD: | 3.439 |
| logSw: | -3.9657 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.955 |
| InChI Key: | RONPGYBOUJHLOD-UHFFFAOYSA-N |