1,1'-[8,9-dimethyl-1-(3-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]di(ethan-1-one)
Chemical Structure Depiction of
1,1'-[8,9-dimethyl-1-(3-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]di(ethan-1-one)
1,1'-[8,9-dimethyl-1-(3-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]di(ethan-1-one)
Compound characteristics
| Compound ID: | D040-0008 |
| Compound Name: | 1,1'-[8,9-dimethyl-1-(3-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-diyl]di(ethan-1-one) |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C16 H16 N4 O4 S2 |
| Smiles: | CC1=C(C(C)=O)SC2(N1C)N(c1cccc(c1)[N+]([O-])=O)N=C(C(C)=O)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6399 |
| logD: | 2.6399 |
| logSw: | -2.8939 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.14 |
| InChI Key: | XUPWFAFQSQQBHW-INIZCTEOSA-N |