3-[(8-chloro-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
3-[(8-chloro-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carbonyl)amino]benzoic acid
3-[(8-chloro-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F083-0082 |
| Compound Name: | 3-[(8-chloro-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carbonyl)amino]benzoic acid |
| Molecular Weight: | 431.87 |
| Molecular Formula: | C18 H10 Cl N3 O4 S2 |
| Smiles: | c1cc(cc(c1)NC(C1=C2NC(c3ccc(cc3N2C(=S)S1)[Cl])=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7363 |
| logD: | 0.8505 |
| logSw: | -4.2309 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.475 |
| InChI Key: | OFCVNWUNVIEGBH-UHFFFAOYSA-N |