Chemical ID: 7384264

Cc1cc(c(cc1Cl)c2c3c([nH]n2)C(=O)N(C3c4ccc(c(c4)Cl)Cl)CCCO)O
Chemical ID:
7384264
Name [?]:
8-(5-chloro-2-hydroxy-4-methyl-phenyl)-2-(3,4-dichlorophenyl)-3-(3-hydroxypropyl)-3,6,7-triazabicyclo[3.3.0]octa-7,9-dien-4-one
SMILES [?]:
Cc1cc(c(cc1Cl)c2c3c([nH]n2)C(=O)N(C3c4ccc(c(c4)Cl)Cl)CCCO)O
InChi [?]:
InChI=1/C21H18Cl3N3O3/c1-10-7-16(29)12(9-14(10)23)18-17-19(26-25-18)21(30)27(5-2-6-28)20(17)11-3-4-13(22)15(24)8-11/h3-4,7-9,20,28-29H,2,5-6H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,19,20,26,28,3,23,6,2,18,5,21,7,22,4,10,9,11,17,14,25,8,24,13,12,16,29,30,15/rA:30cCCCCCCCClCCCNNCONCCCCCCCClClCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d9s12;s11;d14;s14;s10s16;s17;s18;d19;s20;d21;d18s22;s22;s21;s16;s26;s27;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18Cl3N3O3
All Atoms:48
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.314
Area:623.053
Solvation:-5.26233
Coulombic:-60.8794
Bond Count [?]
All:33
Single:24
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:466.744
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.73
LogP (Chemaxon):4.29

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Descriptor Annotations

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