1-(8-methyl-1,3,9-triphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-dien-7-yl)ethan-1-one
Chemical Structure Depiction of
1-(8-methyl-1,3,9-triphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-dien-7-yl)ethan-1-one
1-(8-methyl-1,3,9-triphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-dien-7-yl)ethan-1-one
Compound characteristics
| Compound ID: | D040-0363 |
| Compound Name: | 1-(8-methyl-1,3,9-triphenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-dien-7-yl)ethan-1-one |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C25 H21 N3 O S2 |
| Smiles: | CC1=C(C(C)=O)SC2(N1c1ccccc1)N(c1ccccc1)N=C(c1ccccc1)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7156 |
| logD: | 5.7156 |
| logSw: | -5.6153 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.0113 |
| InChI Key: | FUJXZSHIILDOHY-VWLOTQADSA-N |