N-cyclopentyl-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0850 |
| Compound Name: | N-cyclopentyl-1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 461.59 |
| Molecular Formula: | C25 H27 N5 O2 S |
| Smiles: | Cc1ccc(C)c(CSc2nnc3N(C)C(c4ccc(cc4n23)C(NC2CCCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.4947 |
| logD: | 4.4947 |
| logSw: | -4.3051 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.854 |
| InChI Key: | WYTGAECSWZCGSI-UHFFFAOYSA-N |