3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]propanamide
Chemical Structure Depiction of
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]propanamide
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]propanamide
Compound characteristics
| Compound ID: | S740-0698 |
| Compound Name: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]propanamide |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C18 H28 N4 O6 S |
| Smiles: | Cc1c(CCC(N[C@H]2C[C@H]3C(N(CCOC)S(CCN3C2)(=O)=O)=O)=O)c(C)on1 |
| Stereo: | ABSOLUTE |
| logP: | -1.2951 |
| logD: | -1.2952 |
| logSw: | -1.4711 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.381 |
| InChI Key: | KCABAAHEPJANIJ-GDBMZVCRSA-N |