N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N,N',N'-trimethylsulfuric diamide
Chemical Structure Depiction of
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N,N',N'-trimethylsulfuric diamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N,N',N'-trimethylsulfuric diamide
Compound characteristics
| Compound ID: | S638-2814 |
| Compound Name: | N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N,N',N'-trimethylsulfuric diamide |
| Molecular Weight: | 343.45 |
| Molecular Formula: | C14 H25 N5 O3 S |
| Smiles: | CN(C)S(N(C)C1CCC2=NN(CC3CC3)C(N2CC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0593 |
| logD: | 1.0556 |
| logSw: | -1.6026 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.86 |
| InChI Key: | MPTZOZSBVGYTJY-LBPRGKRZSA-N |