4-(2H-1,3-benzodioxole-5-carbonyl)-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxole-5-carbonyl)-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
4-(2H-1,3-benzodioxole-5-carbonyl)-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0591 |
| Compound Name: | 4-(2H-1,3-benzodioxole-5-carbonyl)-7-bromo-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 465.3 |
| Molecular Formula: | C23 H17 Br N2 O4 |
| Smiles: | C1C(Nc2ccc(cc2C(c2ccccc2)N1C(c1ccc2c(c1)OCO2)=O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5056 |
| logD: | 4.5056 |
| logSw: | -4.4963 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.141 |
| InChI Key: | LTPWKIUJFVDKCN-QFIPXVFZSA-N |