9-{[(2-chlorophenyl)methyl]sulfanyl}-6,6,11-trimethyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
9-{[(2-chlorophenyl)methyl]sulfanyl}-6,6,11-trimethyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
9-{[(2-chlorophenyl)methyl]sulfanyl}-6,6,11-trimethyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0186 |
| Compound Name: | 9-{[(2-chlorophenyl)methyl]sulfanyl}-6,6,11-trimethyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 436.96 |
| Molecular Formula: | C23 H21 Cl N4 O S |
| Smiles: | CC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(C)N=C1SCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3859 |
| logD: | 5.3816 |
| logSw: | -5.7807 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.248 |
| InChI Key: | YFWSYVBLJFOABJ-UHFFFAOYSA-N |