N-cyclopentyl-1-{[(3-methoxyphenyl)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-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0862 |
| Compound Name: | N-cyclopentyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 463.56 |
| Molecular Formula: | C24 H25 N5 O3 S |
| Smiles: | CN1C(c2ccc(cc2n2c1nnc2SCc1cccc(c1)OC)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3226 |
| logD: | 3.3226 |
| logSw: | -3.8384 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.398 |
| InChI Key: | HUVSBPRWBNYGRM-UHFFFAOYSA-N |