Chemical ID: 5914558

CCOCCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)c3ccc(c(c3)[N+](=O)[O-])C
Chemical ID:
5914558
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-(3-ethoxypropyl)-4-methyl-3-nitro-benzamide
SMILES [?]:
CCOCCCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)c3ccc(c(c3)[N+](=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H31N3O5S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:8.47321
Area:744.796
Solvation:-10.1467
Coulombic:-55.3802
Bond Count [?]
All:38
Single:27
Double:11
Rotors:15
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:509.618
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:3.95
LogP (Chemaxon):3.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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