3-{1-[(2-amino-2-oxoethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(butan-2-yl)propanamide
Chemical Structure Depiction of
3-{1-[(2-amino-2-oxoethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(butan-2-yl)propanamide
3-{1-[(2-amino-2-oxoethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(butan-2-yl)propanamide
Compound characteristics
| Compound ID: | L942-0090 |
| Compound Name: | 3-{1-[(2-amino-2-oxoethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(butan-2-yl)propanamide |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C18 H22 N6 O3 S |
| Smiles: | CCC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCC(N)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4721 |
| logD: | 0.4721 |
| logSw: | -2.2952 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.134 |
| InChI Key: | IQQUCCXFPPTOHU-NSHDSACASA-N |