Chemical ID: 5930307

CC(C)(C)CC(C)(C)Nc1c(nc2n1cccc2)c3ccccc3OC(=O)c4ccc(cc4Cl)Cl
Chemical ID:
5930307
Name [?]:
[2-[7-(1,1,3,3-tetramethylbutylamino)-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-yl]phenyl] 2,4-dichlorobenzoate
SMILES [?]:
CC(C)(C)CC(C)(C)Nc1c(nc2n1cccc2)c3ccccc3OC(=O)c4ccc(cc4Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H29Cl2N3O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:14.5963
Area:676.65
Solvation:-2.31993
Coulombic:-46.9329
Bond Count [?]
All:38
Single:27
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:510.454
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:9.17
LogP (Chemaxon):7.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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