N-[(4-butoxyphenyl)methyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(4-butoxyphenyl)methyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carboxamide
N-[(4-butoxyphenyl)methyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | L245-0180 |
| Compound Name: | N-[(4-butoxyphenyl)methyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 495.64 |
| Molecular Formula: | C26 H33 N5 O3 S |
| Smiles: | CCCCOc1ccc(CNC(C2CCN(CC2)C2=NN3C(=NC4CCCCC=4C3=O)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8658 |
| logD: | 3.8651 |
| logSw: | -3.6749 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.639 |
| InChI Key: | MULPJMHDRXOECV-UHFFFAOYSA-N |