2-(cyclopropylmethyl)-7-{methyl[(3-methylthiophen-2-yl)methyl]amino}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
2-(cyclopropylmethyl)-7-{methyl[(3-methylthiophen-2-yl)methyl]amino}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-(cyclopropylmethyl)-7-{methyl[(3-methylthiophen-2-yl)methyl]amino}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S638-2683 |
| Compound Name: | 2-(cyclopropylmethyl)-7-{methyl[(3-methylthiophen-2-yl)methyl]amino}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 346.49 |
| Molecular Formula: | C18 H26 N4 O S |
| Smiles: | Cc1ccsc1CN(C)C1CCC2=NN(CC3CC3)C(N2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2414 |
| logD: | 1.1392 |
| logSw: | -3.1768 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.653 |
| InChI Key: | CQFZSZBWWSYNFF-HNNXBMFYSA-N |