(1-ethyl-1H-pyrazol-3-yl)[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
(1-ethyl-1H-pyrazol-3-yl)[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]methanone--hydrogen chloride (1/1)
(1-ethyl-1H-pyrazol-3-yl)[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]methanone--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | T599-3658 |
Compound Name: | (1-ethyl-1H-pyrazol-3-yl)[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]methanone--hydrogen chloride (1/1) |
Molecular Weight: | 384.88 |
Molecular Formula: | C16 H20 N4 O3 S |
Salt: | HCl |
Smiles: | CCn1ccc(C(N2CCCN(c3ccccc23)S(C)(=O)=O)=O)n1 |
Stereo: | ACHIRAL |
logP: | 0.9475 |
logD: | 0.9475 |
logSw: | -2.0092 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 61.263 |
InChI Key: | WVNDYYIKFYQTAF-UHFFFAOYSA-N |