7-bromo-N-[(2RS)-butan-2-yl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
7-bromo-N-[(2RS)-butan-2-yl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
7-bromo-N-[(2RS)-butan-2-yl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | F083-0298 |
| Compound Name: | 7-bromo-N-[(2RS)-butan-2-yl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 412.32 |
| Molecular Formula: | C15 H14 Br N3 O2 S2 |
| Smiles: | CC[C@H](C)NC(C1=C2NC(c3cc(ccc3N2C(=S)S1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8593 |
| logD: | 2.8592 |
| logSw: | -3.5932 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.102 |
| InChI Key: | XWLMYDVRWWAQCS-ZETCQYMHSA-N |