ethyl N-[4-(4-methoxyphenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[4-(4-methoxyphenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]-beta-alaninate
ethyl N-[4-(4-methoxyphenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | G281-2340 |
| Compound Name: | ethyl N-[4-(4-methoxyphenyl)-9-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carbonyl]-beta-alaninate |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C27 H32 N4 O4 S |
| Smiles: | CCOC(CCNC(N1Cc2c3CCN(C)Cc3sc2n2cccc2C1c1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3734 |
| logD: | 2.6095 |
| logSw: | -4.0488 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.491 |
| InChI Key: | WICSVDCMTIQCJH-VWLOTQADSA-N |