N-[3-(pyrrolidin-1-yl)propyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[3-(pyrrolidin-1-yl)propyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
N-[3-(pyrrolidin-1-yl)propyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K297-0944 |
| Compound Name: | N-[3-(pyrrolidin-1-yl)propyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 427.61 |
| Molecular Formula: | C23 H33 N5 O S |
| Smiles: | C1CCN(C1)CCCNC(C1CCC(CC1)CNC1c2ccccc2NC(N=1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.931 |
| logD: | -0.1595 |
| logSw: | -3.5925 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 59.857 |
| InChI Key: | WEUORWAKTTZBMV-UHFFFAOYSA-N |