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
Available: 32 mg
Amount:
mg
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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
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