N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[(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-[2-(cyclohex-1-en-1-yl)ethyl]-3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[(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: | L610-0207 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)methyl]benzamide |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C28 H31 N3 O3 |
| Smiles: | C1CCC(CCNC(c2cccc(CN3C(C4CCCN4C(c4ccccc34)=O)=O)c2)=O)=CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.956 |
| logD: | 2.956 |
| logSw: | -3.7278 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.72 |
| InChI Key: | ZZKLKJUNVMCSBB-VWLOTQADSA-N |