N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-methyl-1H-pyrazole-3-carboxamide
N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | S740-0228 |
| Compound Name: | N-[(8S,9aS)-2-(3-methoxypropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C16 H25 N5 O5 S |
| Smiles: | Cn1ccc(C(N[C@H]2C[C@H]3C(N(CCCOC)S(CCN3C2)(=O)=O)=O)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | -2.0381 |
| logD: | -2.0381 |
| logSw: | -1.9667 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.248 |
| InChI Key: | MYANZGFTOXKXHG-TZMCWYRMSA-N |