3-(hydroxyimino)-2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-one
Chemical Structure Depiction of
3-(hydroxyimino)-2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-one
3-(hydroxyimino)-2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-one
Compound characteristics
| Compound ID: | 8002-8124 |
| Compound Name: | 3-(hydroxyimino)-2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-one |
| Molecular Weight: | 303.38 |
| Molecular Formula: | C15 H17 N3 O2 S |
| Smiles: | C1CCC2=Nc3c(C(N2CC1)=O)c1CC\C(Cc1s3)=N/O |
| Stereo: | ACHIRAL |
| logP: | 1.8596 |
| logD: | 1.8594 |
| logSw: | -1.9137 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.484 |
| InChI Key: | PQRLJTURHNEMEE-UHFFFAOYSA-N |