Chemical ID: 4570326

COC(=O)c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC(N2C(=O)CCl)C(=O)OC
Chemical ID:
4570326
Name [?]:
None
SMILES [?]:
COC(=O)c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC(N2C(=O)CCl)C(=O)OC
InChi [?]:
InChI=1/C23H21ClN2O5/c1-30-22(28)14-9-7-13(8-10-14)21-20-16(15-5-3-4-6-17(15)25-20)11-18(23(29)31-2)26(21)19(27)12-24/h3-10,18,21,25H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,16,17,15,18,7,9,6,10,21,26,8,5,14,13,19,22,24,12,11,3,28,27,20,23,25,4,29,2,30/E:(7,8)(9,10)/rA:31cCOCOCCCCCCCCCCCCCCCNCCNCOCClCOOC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s13;s21;s11s22;s23;d24;s24;s26;s22;d28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21ClN2O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:10.7533
Area:634.469
Solvation:-5.10839
Coulombic:-66.5322
Bond Count [?]
All:34
Single:24
Double:10
Rotors:7
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:440.876
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.04
LogP (Chemaxon):3.14

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Descriptor Annotations

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