Chemical ID: 5795134

CCOC(=O)C1=C(NC(=O)NC1c2cc(cc(c2)N(CCCl)CCCl)C)C
Chemical ID:
5795134
Name [?]:
ethyl 4-[3-[bis(2-chloroethyl)amino]-5-methyl-phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILES [?]:
CCOC(=O)C1=C(NC(=O)NC1c2cc(cc(c2)N(CCCl)CCCl)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H25Cl2N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.1348
Area:604.602
Solvation:-2.98028
Coulombic:-61.5341
Bond Count [?]
All:28
Single:22
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:414.326
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.51
LogP (Chemaxon):2.7

Name Annotations

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Descriptor Annotations

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