12-butyl-9-(butylsulfanyl)-6,6-dimethyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
12-butyl-9-(butylsulfanyl)-6,6-dimethyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
12-butyl-9-(butylsulfanyl)-6,6-dimethyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | 6150-0024 |
| Compound Name: | 12-butyl-9-(butylsulfanyl)-6,6-dimethyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 410.58 |
| Molecular Formula: | C23 H30 N4 O S |
| Smiles: | CCCCN1C2=C(C(n3c1nnc3SCCCC)=O)C(C)(C)Cc1ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.1522 |
| logD: | 6.1522 |
| logSw: | -5.4307 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.988 |
| InChI Key: | CLCFSKSTYMJKCH-UHFFFAOYSA-N |