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Chemical ID: 5385392
Chemical ID:
5385392
Name [?]:
(benzyl-methyl-carbamoyl)methyl 3-(2-chlorobenzoyl)aminopropanoate
SMILES [?]:
CN(Cc1ccccc1)C(=O)COC(=O)CCNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C20H21ClN2O4/c1-23(13-15-7-3-2-4-8-15)18(24)14-27-19(25)11-12-22-20(26)16-9-5-6-10-17(16)21/h2-10H,11-14H2,1H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,7,6,8,23,24,5,9,22,25,16,17,3,12,4,21,26,10,14,19,27,18,2,11,15,20,13/E:(3,4)(7,8)/rA:27nCNCCCCCCCCOCOCOCCNCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;s13;d14;s14;s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21ClN2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0136 |
Area: | 639.358 |
Solvation: | -4.9704 |
Coulombic: | -57.603 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 388.845 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.93 |
LogP (Chemaxon): | 2.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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