6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-cycloheptylhexanamide
Chemical Structure Depiction of
6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-cycloheptylhexanamide
6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-cycloheptylhexanamide
Compound characteristics
| Compound ID: | K284-4126 |
| Compound Name: | 6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-cycloheptylhexanamide |
| Molecular Weight: | 466.44 |
| Molecular Formula: | C21 H28 Br N3 O2 S |
| Smiles: | C1CCCC(CC1)NC(CCCCCN1C(c2cc(ccc2NC1=S)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0387 |
| logD: | 4.9739 |
| logSw: | -4.6736 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.824 |
| InChI Key: | UJTFWLMASYIZTA-UHFFFAOYSA-N |