7-chloro-3-(3-methoxypropyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-chloro-3-(3-methoxypropyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-chloro-3-(3-methoxypropyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K287-0322 |
| Compound Name: | 7-chloro-3-(3-methoxypropyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 284.76 |
| Molecular Formula: | C12 H13 Cl N2 O2 S |
| Smiles: | COCCCN1C(c2ccc(cc2NC1=S)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5462 |
| logD: | 2.469 |
| logSw: | -3.5731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.91 |
| InChI Key: | AUPAGYUMBPKLRQ-UHFFFAOYSA-N |