3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8S,9aS)-2-(2-methylpropyl)-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-methylpropyl)-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-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]propanamide
Compound characteristics
| Compound ID: | S740-0674 |
| Compound Name: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]propanamide |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C19 H30 N4 O5 S |
| Smiles: | CC(C)CN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(CCc1c(C)noc1C)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.0606 |
| logD: | 0.0596 |
| logSw: | -1.8132 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.06 |
| InChI Key: | RHYGYWUDLIUBLZ-NVXWUHKLSA-N |