1-methyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-methyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-3-carboxamide
1-methyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-3-carboxamide
Compound characteristics
Compound ID: | S740-0672 |
Compound Name: | 1-methyl-N-[(8S,9aS)-2-(2-methylpropyl)-1,3,3-trioxooctahydro-1H-3lambda~6~-pyrrolo[2,1-d][1,2,5]thiadiazepin-8-yl]-1H-pyrazole-3-carboxamide |
Molecular Weight: | 383.47 |
Molecular Formula: | C16 H25 N5 O4 S |
Smiles: | CC(C)CN1C([C@@H]2C[C@@H](CN2CCS1(=O)=O)NC(c1ccn(C)n1)=O)=O |
Stereo: | ABSOLUTE |
logP: | -0.9059 |
logD: | -0.9062 |
logSw: | -2.0493 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 87.927 |
InChI Key: | VLZFRUOMKVSWHH-TZMCWYRMSA-N |