2-(2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-(2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-(2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 6466-0205 |
| Compound Name: | 2-(2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 518.58 |
| Molecular Formula: | C24 H21 F3 N4 O2 S2 |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(CSc1nc3c4ccccc4CCc3c(C(F)(F)F)n1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.3964 |
| logD: | 4.1198 |
| logSw: | -4.6122 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.464 |
| InChI Key: | CAZUWWFZJSCXHB-UHFFFAOYSA-N |