10-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y020-2255 |
| Compound Name: | 10-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 480.61 |
| Molecular Formula: | C23 H24 N6 O2 S2 |
| Smiles: | CC1(C)CC2=C(C(c3cccs3)N(C(CSc3nnc(N)[nH]3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4348 |
| logD: | 2.0971 |
| logSw: | -2.7425 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 92.9 |
| InChI Key: | SZGGKGYDCOVQJG-FQEVSTJZSA-N |