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Chemical ID: 6006194
Chemical ID:
6006194
Name [?]:
N-[[3-(4-chlorophenyl)-4-oxo-imidazolidin-1-yl]carbonylmethyl]-N-ethyl-2-methyl-benzamide
SMILES [?]:
CCN(CC(=O)N1CC(=O)N(C1)c2ccc(cc2)Cl)C(=O)c3ccccc3C
InChi [?]:
InChI=1/C21H22ClN3O3/c1-3-23(21(28)18-7-5-4-6-15(18)2)12-19(26)24-13-20(27)25(14-24)17-10-8-16(22)9-11-17/h4-11H,3,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,25,24,26,23,15,17,14,18,4,8,12,27,16,13,22,5,9,20,19,3,7,11,6,10,21/E:(8,9)(10,11)/rA:28nCCNCCONCCONCCCCCCCClCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;s7s11;s11;s13;d14;s15;d16;d13s17;s16;s3;d20;s20;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22ClN3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2257 |
Area: | 615.192 |
Solvation: | -4.15411 |
Coulombic: | -51.405 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 399.871 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.17 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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