3-[(7-methyl-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-[(7-methyl-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carbonyl)amino]benzoic acid
3-[(7-methyl-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F083-0454 |
| Compound Name: | 3-[(7-methyl-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carbonyl)amino]benzoic acid |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C19 H13 N3 O4 S2 |
| Smiles: | Cc1ccc2c(c1)C(NC1=C(C(Nc3cccc(c3)C(O)=O)=O)SC(N12)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4549 |
| logD: | 0.5691 |
| logSw: | -3.8213 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.475 |
| InChI Key: | FERXCLIIBISQPD-UHFFFAOYSA-N |