methyl 4-({[(2,4-dimethyl-3H-1,5-benzodiazepin-3-ylidene)amino]oxy}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[(2,4-dimethyl-3H-1,5-benzodiazepin-3-ylidene)amino]oxy}methyl)benzoate
methyl 4-({[(2,4-dimethyl-3H-1,5-benzodiazepin-3-ylidene)amino]oxy}methyl)benzoate
Compound characteristics
| Compound ID: | 8013-1992 |
| Compound Name: | methyl 4-({[(2,4-dimethyl-3H-1,5-benzodiazepin-3-ylidene)amino]oxy}methyl)benzoate |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C20 H19 N3 O3 |
| Smiles: | CC1C(C(C)=Nc2ccccc2N=1)=NOCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9364 |
| logD: | 3.9364 |
| logSw: | -4.136 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.434 |
| InChI Key: | WLZKTYBMOXRWEJ-UHFFFAOYSA-N |