1-[(2-amino-2-oxoethyl)sulfanyl]-4-benzyl-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-[(2-amino-2-oxoethyl)sulfanyl]-4-benzyl-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-[(2-amino-2-oxoethyl)sulfanyl]-4-benzyl-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0657 |
| Compound Name: | 1-[(2-amino-2-oxoethyl)sulfanyl]-4-benzyl-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C22 H22 N6 O3 S |
| Smiles: | CC(C)NC(c1ccc2C(N(Cc3ccccc3)c3nnc(n3c2c1)SCC(N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6972 |
| logD: | 1.6972 |
| logSw: | -2.9462 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.631 |
| InChI Key: | KQISGQRIBSMPHQ-UHFFFAOYSA-N |