N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-2110 |
| Compound Name: | N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C23 H30 N4 O3 S |
| Smiles: | C1CC(N(C1)CCCNC(C1CCC(CC1)CN1C(c2ccccc2NC1=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2781 |
| logD: | 2.277 |
| logSw: | -2.9878 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.277 |
| InChI Key: | TYEVQTGCJBTHNS-UHFFFAOYSA-N |