methyl 4-chloro-2-[(4-ethyl-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 4-chloro-2-[(4-ethyl-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 4-chloro-2-[(4-ethyl-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: | G281-1776 |
| Compound Name: | methyl 4-chloro-2-[(4-ethyl-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: | 499.03 |
| Molecular Formula: | C25 H27 Cl N4 O3 S |
| Smiles: | CCC1c2cccn2c2c(CN1C(Nc1cc(ccc1C(=O)OC)[Cl])=O)c1CCN(C)Cc1s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2801 |
| logD: | 3.5163 |
| logSw: | -5.7089 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.053 |
| InChI Key: | CLKLVYZDQUVQID-FQEVSTJZSA-N |