9-(benzylsulfanyl)-6,6-dimethyl-11-(prop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
9-(benzylsulfanyl)-6,6-dimethyl-11-(prop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
9-(benzylsulfanyl)-6,6-dimethyl-11-(prop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0422 |
| Compound Name: | 9-(benzylsulfanyl)-6,6-dimethyl-11-(prop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 428.56 |
| Molecular Formula: | C25 H24 N4 O S |
| Smiles: | CC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(CC=C)N=C1SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0376 |
| logD: | 5.0365 |
| logSw: | -4.8114 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.547 |
| InChI Key: | KXMVBHGDTLZJML-UHFFFAOYSA-N |