Chemical ID: 5920857

Cc1ccsc1CN(Cc2ccc3c(c2)OCO3)C(=O)CN(CCCOC)C(=O)C
Chemical ID:
5920857
Name [?]:
N-[[benzo[1,3]dioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-methoxypropyl)acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc3c(c2)OCO3)C(=O)CN(CCCOC)C(=O)C
InChi [?]:
InChI=1/C22H28N2O5S/c1-16-7-10-30-21(16)13-24(12-18-5-6-19-20(11-18)29-15-28-19)22(26)14-23(17(2)25)8-4-9-27-3/h5-7,10-11H,4,8-9,12-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,27,24,11,12,3,23,25,4,15,9,7,21,17,2,28,10,13,14,6,19,22,8,29,20,26,18,16,5/rA:30nCCCCSCCNCCCCCCCOCOCOCNCCCOCCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;s21;s22;s23;s24;s25;s26;s22;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N2O5S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.30993
Area:659.647
Solvation:-7.18125
Coulombic:-55.4524
Bond Count [?]
All:32
Single:25
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:432.534
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:1.72
LogP (Chemaxon):1.64

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Descriptor Annotations

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