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Chemical ID: 5907919
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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