N-cyclopentyl-1-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-1-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-1-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0119 |
| Compound Name: | N-cyclopentyl-1-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 519.62 |
| Molecular Formula: | C27 H29 N5 O4 S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCC(c1ccc(cc1)OC)=O)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8785 |
| logD: | 3.8785 |
| logSw: | -4.0392 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.857 |
| InChI Key: | DAYPNLHLYASGAQ-UHFFFAOYSA-N |