Chemical ID: 5914901

CCC(C)N(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)CCc3ccccc3
Chemical ID:
5914901
Name [?]:
N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]-3-phenyl-N-sec-butyl-propanamide
SMILES [?]:
CCC(C)N(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)CCc3ccccc3
InChi [?]:
InChI=1/C30H38N2O4S/c1-5-23(2)32(29(33)16-14-24-10-7-6-8-11-24)22-30(34)31(21-26-12-9-19-37-26)18-17-25-13-15-27(35-3)28(20-25)36-4/h6-13,15,19-20,23H,5,14,16-18,21-22H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,4,21,19,2,35,34,36,25,33,37,24,13,31,14,30,11,10,26,17,22,6,3,32,12,23,15,16,28,7,9,5,29,8,20,18,27/E:(7,8)(10,11)/rA:37cCCCCNCCONCCCCCCCCOCOCCCCCCSCOCCCCCCCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s9;s22;d23;s24;d25;s23s26;s5;d28;s28;s30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H38N2O4S
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:13.0696
Area:802.651
Solvation:-6.99663
Coulombic:-49.6303
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:4.31
LogP (Chemaxon):4.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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