ethyl {4-[(4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]phenyl}acetate
Chemical Structure Depiction of
ethyl {4-[(4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]phenyl}acetate
ethyl {4-[(4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]phenyl}acetate
Compound characteristics
| Compound ID: | G281-0537 |
| Compound Name: | ethyl {4-[(4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl)amino]phenyl}acetate |
| Molecular Weight: | 525.67 |
| Molecular Formula: | C31 H31 N3 O3 S |
| Smiles: | CCOC(Cc1ccc(cc1)NC(N1Cc2c3CCCCc3sc2n2cccc2C1c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9232 |
| logD: | 6.9232 |
| logSw: | -5.6615 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.102 |
| InChI Key: | ZMCHYTQAPCJNMD-LJAQVGFWSA-N |