3-(azepane-1-carbonyl)-7-methyl-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-7-methyl-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
3-(azepane-1-carbonyl)-7-methyl-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F083-0481 |
| Compound Name: | 3-(azepane-1-carbonyl)-7-methyl-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one |
| Molecular Weight: | 373.49 |
| Molecular Formula: | C18 H19 N3 O2 S2 |
| Smiles: | Cc1ccc2c(c1)C(NC1=C(C(N3CCCCCC3)=O)SC(N12)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1649 |
| logD: | 3.1648 |
| logSw: | -3.5628 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.955 |
| InChI Key: | MJKOHGSEJBZIRP-UHFFFAOYSA-N |