N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]furan-2-carboxamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]furan-2-carboxamide
N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]furan-2-carboxamide
Compound characteristics
| Compound ID: | S740-0735 |
| Compound Name: | N-[(8S,9aS)-2-(2-methoxyethyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]furan-2-carboxamide |
| Molecular Weight: | 371.41 |
| Molecular Formula: | C15 H21 N3 O6 S |
| Smiles: | COCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(c1ccco1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -1.3647 |
| logD: | -1.3647 |
| logSw: | -1.9402 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.134 |
| InChI Key: | FKKPPEUDXTZLEY-VXGBXAGGSA-N |