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Chemical ID: 6024158
Chemical ID:
6024158
Name [?]:
N-[[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-3-phenyl-N-propyl-propanamide
SMILES [?]:
CCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C)C(=O)CCc3ccccc3
InChi [?]:
InChI=1/C30H38N2O4S/c1-5-17-31(29(33)14-12-24-9-7-6-8-10-24)22-30(34)32(21-28-23(2)16-19-37-28)18-15-25-11-13-26(35-3)27(20-25)36-4/h6-11,13,16,19-20H,5,12,14-15,17-18,21-22H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,20,18,2,35,34,36,33,37,12,31,13,30,10,24,3,9,25,16,21,5,23,32,11,14,15,22,28,6,4,8,29,7,19,17,26/E:(7,8)(9,10)/rA:37nCCCNCCONCCCCCCCCOCOCCCCCCSCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;s21;d22;s23;d24;s22s25;s23;s4;d28;s28;s30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H38N2O4S |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.061 |
Area: | 811.678 |
Solvation: | -7.23096 |
Coulombic: | -49.1971 |
Bond Count [?]
All: | 39 |
Single: | 29 |
Double: | 10 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 522.7 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.99 |
LogP (Chemaxon): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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