methyl 3-{[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]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[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]amino}benzoate
methyl 3-{[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]amino}benzoate
Compound characteristics
| Compound ID: | G281-2321 |
| Compound Name: | methyl 3-{[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]amino}benzoate |
| Molecular Weight: | 542.66 |
| Molecular Formula: | C30 H30 N4 O4 S |
| Smiles: | CN1CCc2c3CN(C(c4ccc(cc4)OC)c4cccn4c3sc2C1)C(Nc1cccc(c1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7673 |
| logD: | 4.0034 |
| logSw: | -5.5616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.071 |
| InChI Key: | FIHNDERCSDYEMD-MHZLTWQESA-N |