5-(4-fluorophenyl)-7-methyl-4-[4-(piperidine-1-sulfonyl)benzoyl]-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
5-(4-fluorophenyl)-7-methyl-4-[4-(piperidine-1-sulfonyl)benzoyl]-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
5-(4-fluorophenyl)-7-methyl-4-[4-(piperidine-1-sulfonyl)benzoyl]-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0113 |
| Compound Name: | 5-(4-fluorophenyl)-7-methyl-4-[4-(piperidine-1-sulfonyl)benzoyl]-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 521.61 |
| Molecular Formula: | C28 H28 F N3 O4 S |
| Smiles: | Cc1ccc2c(c1)C(c1ccc(cc1)F)N(CC(N2)=O)C(c1ccc(cc1)S(N1CCCCC1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4054 |
| logD: | 4.4054 |
| logSw: | -4.154 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.737 |
| InChI Key: | ATRPWHFQMBANQP-MHZLTWQESA-N |