6-chloro-3-(3-methylbutyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-chloro-3-(3-methylbutyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-chloro-3-(3-methylbutyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K287-0529 |
| Compound Name: | 6-chloro-3-(3-methylbutyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 282.79 |
| Molecular Formula: | C13 H15 Cl N2 O S |
| Smiles: | CC(C)CCN1C(c2cc(ccc2NC1=S)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.079 |
| logD: | 4.0142 |
| logSw: | -4.4662 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.5678 |
| InChI Key: | VSZBANBWVSBDNW-UHFFFAOYSA-N |