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Chemical ID: 5874448
Chemical ID:
5874448
Name [?]:
N-[(4-benzyloxyphenyl)methyl]-4-methoxy-N-[3-(2-methyl-1-piperidyl)propyl]benzenesulfonamide
SMILES [?]:
CC1CCCCN1CCCN(Cc2ccc(cc2)OCc3ccccc3)S(=O)(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C30H38N2O4S/c1-25-9-6-7-20-31(25)21-8-22-32(37(33,34)30-18-16-28(35-2)17-19-30)23-26-12-14-29(15-13-26)36-24-27-10-4-3-5-11-27/h3-5,10-19,25H,6-9,20-24H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,37,24,23,25,4,5,9,3,22,26,14,18,15,17,32,34,31,35,6,8,10,12,20,2,13,21,33,16,30,7,11,28,29,36,19,27/E:(4,5)(10,11)(12,13)(14,15)(16,17)(18,19)(33,34)/CRV:37.6/rA:37cCCCCCCNCCCNCCCCCCCOCCCCCCCSOOCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;s21;d22;s23;d24;d21s25;s11;d27;d27;s27;s30;d31;s32;d33;d30s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H38N2O4S |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 13.8325 |
Area: | 776.29 |
Solvation: | -5.57473 |
Coulombic: | -30.0099 |
Bond Count [?]
All: | 40 |
Single: | 29 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 522.7 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.89 |
LogP (Chemaxon): | 5.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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