2,3-dimethyl-7-nitro-9-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2,3-dimethyl-7-nitro-9-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
2,3-dimethyl-7-nitro-9-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8012-7846 |
| Compound Name: | 2,3-dimethyl-7-nitro-9-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C18 H13 N3 O3 S2 |
| Smiles: | CC1=Nc2c3c(cc(cc3sc2C(N1C)=O)[N+]([O-])=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1181 |
| logD: | 4.1181 |
| logSw: | -4.4899 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.028 |
| InChI Key: | OTOXJWWNNLALRG-UHFFFAOYSA-N |