3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061154 |
| Compound Name: | 3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 507.96 |
| Molecular Formula: | C24 H21 Cl F3 N3 O2 S |
| Smiles: | C1CCC(CCNC(c2ccc3C(N(C(Nc3c2)=S)c2cc(ccc2[Cl])C(F)(F)F)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.1679 |
| logD: | 5.1475 |
| logSw: | -5.645 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.853 |
| InChI Key: | UUNMAQBJCFBIIY-UHFFFAOYSA-N |