(3-cyclopropyl-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)(3,4-dimethoxyphenyl)methanone
Chemical Structure Depiction of
(3-cyclopropyl-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)(3,4-dimethoxyphenyl)methanone
(3-cyclopropyl-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)(3,4-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | S584-0239 |
| Compound Name: | (3-cyclopropyl-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)(3,4-dimethoxyphenyl)methanone |
| Molecular Weight: | 342.4 |
| Molecular Formula: | C18 H22 N4 O3 |
| Smiles: | COc1ccc(cc1OC)C(N1CCc2nnc(C3CC3)n2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8591 |
| logD: | 0.7684 |
| logSw: | -1.664 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.503 |
| InChI Key: | ZUKFPCLCRZYKRW-UHFFFAOYSA-N |