3-{7-methyl-5-oxo-1-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-{7-methyl-5-oxo-1-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
3-{7-methyl-5-oxo-1-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L942-0186 |
| Compound Name: | 3-{7-methyl-5-oxo-1-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide |
| Molecular Weight: | 498.63 |
| Molecular Formula: | C23 H26 N6 O3 S2 |
| Smiles: | CC(C)NC(CCN1C(c2cc(C)ccc2n2c1nnc2SCC(NCc1cccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5353 |
| logD: | 2.5353 |
| logSw: | -2.926 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.497 |
| InChI Key: | YFMZBHGXIGGJPN-UHFFFAOYSA-N |