1-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0869 |
| Compound Name: | 1-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C26 H26 N6 O4 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc2N(C)C(c3ccc(cc3n12)C(NC1CCCC1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2072 |
| logD: | 2.207 |
| logSw: | -3.0337 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.83 |
| InChI Key: | RXOWNNYVOWKYKC-UHFFFAOYSA-N |