3-(3-chloro-4-fluorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(3-chloro-4-fluorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061657 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 465.93 |
| Molecular Formula: | C24 H17 Cl F N3 O2 S |
| Smiles: | C1Cc2ccc(cc2C1)NC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2266 |
| logD: | 4.8823 |
| logSw: | -5.6217 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.084 |
| InChI Key: | RDDZJWUKJMMQKD-UHFFFAOYSA-N |