3-chloro-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-4-methoxy-N-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
3-chloro-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-4-methoxy-N-methylbenzene-1-sulfonamide
3-chloro-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-4-methoxy-N-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | CM4206-4217 |
| Compound Name: | 3-chloro-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-4-methoxy-N-methylbenzene-1-sulfonamide |
| Molecular Weight: | 440.95 |
| Molecular Formula: | C19 H25 Cl N4 O4 S |
| Smiles: | CN(C1CCC2=NN(CC3CC3)C(N2CC1)=O)S(c1ccc(c(c1)[Cl])OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0529 |
| logD: | 3.0493 |
| logSw: | -3.4204 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.132 |
| InChI Key: | GBMXDGYTLKGHOT-AWEZNQCLSA-N |