N-cyclopentyl-1-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-1-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-1-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
Compound ID: | F472-0350 |
Compound Name: | N-cyclopentyl-1-{[2-(cyclopentylamino)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
Molecular Weight: | 510.66 |
Molecular Formula: | C26 H34 N6 O3 S |
Smiles: | CC(C)CN1C(c2ccc(cc2n2c1nnc2SCC(NC1CCCC1)=O)C(NC1CCCC1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6615 |
logD: | 3.6615 |
logSw: | -4.0187 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 88.651 |
InChI Key: | WAUHUFVLWKIWJU-UHFFFAOYSA-N |