3-(3-chloro-4-fluorophenyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(3-chloro-4-fluorophenyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061014 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 457.95 |
| Molecular Formula: | C23 H21 Cl F N3 O2 S |
| Smiles: | C1CCC(CCNC(c2ccc3C(N(C(Nc3c2)=S)c2ccc(c(c2)[Cl])F)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.3834 |
| logD: | 4.2769 |
| logSw: | -4.6408 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.153 |
| InChI Key: | SRTMEMBHZDVHRU-UHFFFAOYSA-N |