5-methyl-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]pyrazine-2-carboxamide
Chemical Structure Depiction of
5-methyl-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]pyrazine-2-carboxamide
5-methyl-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]pyrazine-2-carboxamide
Compound characteristics
| Compound ID: | S740-0949 |
| Compound Name: | 5-methyl-N-[(8S,9aS)-1,3,3-trioxo-2-propyloctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]pyrazine-2-carboxamide |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C16 H23 N5 O4 S |
| Smiles: | CCCN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(c1cnc(C)cn1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.9452 |
| logD: | -0.9453 |
| logSw: | -1.8245 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.295 |
| InChI Key: | LONCJBKEYSQUOV-TZMCWYRMSA-N |