3-(azepane-1-carbonyl)-7,8-dimethoxy-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-7,8-dimethoxy-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
3-(azepane-1-carbonyl)-7,8-dimethoxy-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | F083-0357 |
| Compound Name: | 3-(azepane-1-carbonyl)-7,8-dimethoxy-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C19 H21 N3 O4 S2 |
| Smiles: | COc1cc2C(NC3=C(C(N4CCCCCC4)=O)SC(N3c2cc1OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5851 |
| logD: | 2.5851 |
| logSw: | -3.2758 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.216 |
| InChI Key: | APCJBPCRLHKOMH-UHFFFAOYSA-N |