N-cyclopentyl-1-{[2-(3-methoxyanilino)-2-oxoethyl]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-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-1-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0842 |
| Compound Name: | N-cyclopentyl-1-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 506.58 |
| Molecular Formula: | C25 H26 N6 O4 S |
| Smiles: | CN1C(c2ccc(cc2n2c1nnc2SCC(Nc1cccc(c1)OC)=O)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7315 |
| logD: | 2.7315 |
| logSw: | -3.4726 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.547 |
| InChI Key: | NDYNAKBXCAUSFO-UHFFFAOYSA-N |