Chemical ID: 4568157

CC(=O)N1C(Cc2c3ccccc3[nH]c2C1c4ccccc4Cl)C(=O)OC
Chemical ID:
4568157
Name [?]:
None
SMILES [?]:
CC(=O)N1C(Cc2c3ccccc3[nH]c2C1c4ccccc4Cl)C(=O)OC
InChi [?]:
InChI=1/C21H19ClN2O3/c1-12(25)24-18(21(26)27-2)11-15-13-7-4-6-10-17(13)23-19(15)20(24)14-8-3-5-9-16(14)22/h3-10,18,20,23H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,19,10,20,11,9,18,21,12,6,2,8,17,7,22,13,5,15,16,24,23,14,4,3,25,26/rA:27cCCONCCCCCCCCCNCCCCCCCCClCOOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d7s14;s4s15;s16;s17;d18;s19;d20;d17s21;s22;s5;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19ClN2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:9.99339
Area:547.097
Solvation:-3.68403
Coulombic:-47.3467
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:382.84
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.49
LogP (Chemaxon):3.52

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