Chemical ID: 5933135

CCN(CC)C(=O)c1ccc(o1)CN(Cc2ccc(cc2)Cl)Cc3ccc4c(c3)OCO4
Chemical ID:
5933135
Name [?]:
5-[[benzo[1,3]dioxol-5-ylmethyl-[(4-chlorophenyl)methyl]amino]methyl]-N,N-diethyl-furan-2-carboxamide
SMILES [?]:
CCN(CC)C(=O)c1ccc(o1)CN(Cc2ccc(cc2)Cl)Cc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C25H27ClN2O4/c1-3-28(4-2)25(29)23-12-10-21(32-23)16-27(14-18-5-8-20(26)9-6-18)15-19-7-11-22-24(13-19)31-17-30-22/h5-13H,3-4,14-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,17,21,25,18,20,10,26,9,29,15,23,13,31,16,24,19,11,27,8,28,6,22,14,3,7,32,30,12/E:(1,2)(3,4)(5,6)(8,9)/rA:32cCCNCCCOCCCCOCNCCCCCCCClCCCCCCCOCO/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;d10;s8s11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;s24;d25;s26;d27;d24s28;s28;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27ClN2O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:12.2841
Area:680.795
Solvation:-4.73581
Coulombic:-49.6261
Bond Count [?]
All:35
Single:26
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:454.946
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.67
LogP (Chemaxon):4.23

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Descriptor Annotations

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