10-{[(1,3-benzothiazol-2-yl)sulfanyl]acetyl}-11-(4-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-{[(1,3-benzothiazol-2-yl)sulfanyl]acetyl}-11-(4-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-{[(1,3-benzothiazol-2-yl)sulfanyl]acetyl}-11-(4-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8010-6386 |
| Compound Name: | 10-{[(1,3-benzothiazol-2-yl)sulfanyl]acetyl}-11-(4-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 555.72 |
| Molecular Formula: | C31 H29 N3 O3 S2 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)OC)N(C(CSc3nc4ccccc4s3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6744 |
| logD: | 6.4445 |
| logSw: | -5.7385 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.263 |
| InChI Key: | UXQHGUPWCKBVAY-LJAQVGFWSA-N |