2-(4-nitrophenyl)-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
Chemical Structure Depiction of
2-(4-nitrophenyl)-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
2-(4-nitrophenyl)-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
Compound characteristics
| Compound ID: | 8009-4443 |
| Compound Name: | 2-(4-nitrophenyl)-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C17 H15 N3 O3 S |
| Smiles: | C1CCC2=Nc3cc(c4ccc(cc4)[N+]([O-])=O)sc3C(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6725 |
| logD: | 3.6725 |
| logSw: | -4.0096 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.848 |
| InChI Key: | QNPSCYJECJQBII-UHFFFAOYSA-N |