3-methoxy-N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide
Chemical Structure Depiction of
3-methoxy-N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide
3-methoxy-N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide
Compound characteristics
| Compound ID: | S740-1302 |
| Compound Name: | 3-methoxy-N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]benzamide |
| Molecular Weight: | 425.5 |
| Molecular Formula: | C19 H27 N3 O6 S |
| Smiles: | COCCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(c1cccc(c1)OC)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.34 |
| logD: | -0.34 |
| logSw: | -2.1955 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.1 |
| InChI Key: | BUWGSPWMUVELAR-NVXWUHKLSA-N |