Chemical ID: 6630192

CC(C(=O)NN=Cc1c2ccccc2ccc1OC(=O)c3ccccc3Cl)Oc4cccc5c4cccc5
Chemical ID:
6630192
Name [?]:
[1-[2-(1-naphthyloxy)propanoylaminoiminomethyl]-2-naphthyl] 2-chlorobenzoate
SMILES [?]:
CC(C(=O)NN=Cc1c2ccccc2ccc1OC(=O)c3ccccc3Cl)Oc4cccc5c4cccc5
InChi [?]:
InChI=1/C31H23ClN2O4/c1-20(37-28-16-8-11-21-9-3-5-13-24(21)28)30(35)34-33-19-26-23-12-4-2-10-22(23)17-18-29(26)38-31(36)25-14-6-7-15-27(25)32/h2-20H,1H3,(H,34,35)
InChi Info:
AuxInfo=1/1/N:1,12,37,11,36,23,24,31,38,13,32,10,35,22,25,30,15,16,7,2,33,14,9,34,21,8,26,29,17,3,19,27,6,5,4,20,28,18/rA:38cCCCONNCCCCCCCCCCCOCOCCCCCCClOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;d8s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;s2;s28;s29;d30;s31;d32;d29s33;s34;d35;s36;s33d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H23ClN2O4
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:12.5696
Area:736.013
Solvation:-5.8307
Coulombic:-50.1891
Bond Count [?]
All:42
Single:26
Double:16
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:522.978
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:8.86
LogP (Chemaxon):7.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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