8-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-oxo-N-(propan-2-yl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
8-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-oxo-N-(propan-2-yl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
8-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-oxo-N-(propan-2-yl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | K233-0919 |
| Compound Name: | 8-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-oxo-N-(propan-2-yl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 535.69 |
| Molecular Formula: | C27 H29 N5 O3 S2 |
| Smiles: | CC(C)NC(C1=C2NC(c3ccc(cc3N2C(=S)S1)C(N1CCN(CC1)c1cccc(C)c1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6426 |
| logD: | 3.6426 |
| logSw: | -3.9785 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.243 |
| InChI Key: | OFPIXQFYOVLVHI-UHFFFAOYSA-N |