3-[3-(azepan-1-yl)propyl]-2-sulfanylidene-2,3-dihydrobenzo[g]quinazolin-4(1H)-one
Chemical Structure Depiction of
3-[3-(azepan-1-yl)propyl]-2-sulfanylidene-2,3-dihydrobenzo[g]quinazolin-4(1H)-one
3-[3-(azepan-1-yl)propyl]-2-sulfanylidene-2,3-dihydrobenzo[g]quinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4910 |
| Compound Name: | 3-[3-(azepan-1-yl)propyl]-2-sulfanylidene-2,3-dihydrobenzo[g]quinazolin-4(1H)-one |
| Molecular Weight: | 367.51 |
| Molecular Formula: | C21 H25 N3 O S |
| Smiles: | C1CCCN(CC1)CCCN1C(c2cc3ccccc3cc2NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2737 |
| logD: | 1.8512 |
| logSw: | -4.4578 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.3383 |
| InChI Key: | UPXPHGLBNTVZHZ-UHFFFAOYSA-N |