N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
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-methyl-2,3-dihydro-1H-indene-5-sulfonamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
Compound characteristics
| Compound ID: | S638-5268 |
| 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-methyl-2,3-dihydro-1H-indene-5-sulfonamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | CN(C1CCC2=NN(CC3CC3)C(N2CC1)=O)S(c1ccc2CCCc2c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7162 |
| logD: | 3.7125 |
| logSw: | -3.7964 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.788 |
| InChI Key: | IEKQEXCBNFBBIQ-SFHVURJKSA-N |