N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | F083-0039 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloro-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 445.9 |
| Molecular Formula: | C19 H12 Cl N3 O4 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(C1=C2NC(c3cc(ccc3N2C(=S)S1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2696 |
| logD: | 3.2696 |
| logSw: | -3.7829 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.505 |
| InChI Key: | UKENCVKSJCPKQB-UHFFFAOYSA-N |