Chemical ID: 5907919

Cc1c(cccc1Cl)N2CN(CC2=O)C(=O)CNCC3CC3
Chemical ID:
5907919
Name [?]:
3-(3-chloro-2-methyl-phenyl)-1-[2-(cyclopropylmethylamino)acetyl]-imidazolidin-4-one
SMILES [?]:
Cc1c(cccc1Cl)N2CN(CC2=O)C(=O)CNCC3CC3
InChi [?]:
InChI=1/C16H20ClN3O2/c1-11-13(17)3-2-4-14(11)20-10-19(9-16(20)22)15(21)8-18-7-12-5-6-12/h2-4,12,18H,5-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,21,22,19,17,12,10,2,20,7,3,15,13,8,18,11,9,16,14/E:(5,6)/rA:22nCCCCCCCClNCNCCOCOCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;s10;s11;s9s12;d13;s11;d15;s15;s17;s18;s19;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20ClN3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.72925
Area:542.653
Solvation:-3.83708
Coulombic:-41.0642
Bond Count [?]
All:24
Single:19
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:321.802
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.53
LogP (Chemaxon):1.7

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