3-methyl-8-thia-5,7,12b-triazabenzo[a]aceanthrylene-10,11-dicarbonitrile
Chemical Structure Depiction of
3-methyl-8-thia-5,7,12b-triazabenzo[a]aceanthrylene-10,11-dicarbonitrile
3-methyl-8-thia-5,7,12b-triazabenzo[a]aceanthrylene-10,11-dicarbonitrile
Compound characteristics
| Compound ID: | 8013-2679 |
| Compound Name: | 3-methyl-8-thia-5,7,12b-triazabenzo[a]aceanthrylene-10,11-dicarbonitrile |
| Molecular Weight: | 339.38 |
| Molecular Formula: | C19 H9 N5 S |
| Smiles: | Cc1ccc2c(c1)c1c3c(ncn1)sc1cc(C#N)c(C#N)cc1n23 |
| Stereo: | ACHIRAL |
| logP: | 4.1265 |
| logD: | 4.1253 |
| logSw: | -4.4009 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 52.635 |
| InChI Key: | PHUFWLFLKBXDEN-UHFFFAOYSA-N |