N-(cyclohexylmethyl)-4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-(cyclohexylmethyl)-4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide
N-(cyclohexylmethyl)-4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | L610-0099 |
| Compound Name: | N-(cyclohexylmethyl)-4-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C27 H31 N3 O3 |
| Smiles: | C1CCC(CC1)CNC(c1ccc(CN2C(C3CCCN3C(c3ccccc23)=O)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3228 |
| logD: | 3.3228 |
| logSw: | -3.9231 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.879 |
| InChI Key: | BKOHESAPWYBROF-DEOSSOPVSA-N |