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Chemical ID: 6566775
Chemical ID:
6566775
Name [?]:
3-(4-chlorophenyl)-1-(1-cyclopropylethyl)-1-[(4-methoxyphenyl)methyl]urea
SMILES [?]:
CC(C1CC1)N(Cc2ccc(cc2)OC)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H23ClN2O2/c1-14(16-5-6-16)23(13-15-3-11-19(25-2)12-4-15)20(24)22-18-9-7-17(21)8-10-18/h3-4,7-12,14,16H,5-6,13H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,15,9,13,4,5,21,23,20,24,10,12,7,2,8,3,22,19,11,16,25,18,6,17,14/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:25cCCCCCNCCCCCCCOCCONCCCCCCCl/rB:s1;s2;s3;s3s4;s2;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s6;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23ClN2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0139 |
Area: | 564.016 |
Solvation: | -3.08648 |
Coulombic: | -39.93 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 358.862 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.5 |
LogP (Chemaxon): | 4.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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