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-imidazole-4-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-imidazole-4-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-imidazole-4-carboxamide
Compound characteristics
Compound ID: | S740-1089 |
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-imidazole-4-carboxamide |
Molecular Weight: | 399.47 |
Molecular Formula: | C16 H25 N5 O5 S |
Smiles: | Cn1cc(C(N[C@H]2C[C@H]3C(N(CCCOC)S(CCN3C2)(=O)=O)=O)=O)nc1 |
Stereo: | ABSOLUTE |
logP: | -2.0954 |
logD: | -2.0954 |
logSw: | -1.7454 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 94.192 |
InChI Key: | SPNQDZYTXJMGQW-TZMCWYRMSA-N |