1-{4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide
1-{4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K284-1599 |
| Compound Name: | 1-{4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C22 H27 N5 O4 S |
| Smiles: | C1CC(N(C1)CCCN1C(c2ccc(cc2NC1=S)C(N1CCC(CC1)C(N)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4079 |
| logD: | -0.4084 |
| logSw: | -2.223 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.516 |
| InChI Key: | OZQAJCKQULRLCI-UHFFFAOYSA-N |