Chemical ID: 4402581

CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[N+](=O)[O-])CCCN(C)C)O
Chemical ID:
4402581
Name [?]:
1-(3-dimethylaminopropyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-5-(4-nitrophenyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[N+](=O)[O-])CCCN(C)C)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H29N3O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:7.47665
Area:736.161
Solvation:-10.9274
Coulombic:-66.9384
Bond Count [?]
All:36
Single:26
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:467.514
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:3.98
LogP (Chemaxon):-0.21

Name Annotations

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Descriptor Annotations

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