Chemical ID: 5915758

CC(C)C(=O)N(CC1CCCO1)CC(=O)N(Cc2ccccc2)Cc3cccs3
Chemical ID:
5915758
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-2-methyl-N-(tetrahydrofuran-2-ylmethyl)propanamide
SMILES [?]:
CC(C)C(=O)N(CC1CCCO1)CC(=O)N(Cc2ccccc2)Cc3cccs3
InChi [?]:
InChI=1/C23H30N2O3S/c1-18(2)23(27)25(15-20-10-6-12-28-20)17-22(26)24(16-21-11-7-13-29-21)14-19-8-4-3-5-9-19/h3-5,7-9,11,13,18,20H,6,10,12,14-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,21,20,22,10,27,19,23,9,26,11,28,17,7,24,13,2,18,8,25,14,4,16,6,15,5,12,29/E:(1,2)(4,5)(8,9)/rA:29cCCCCONCCCCCOCCONCCCCCCCCCCCCS/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s10;s8s11;s6;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s16;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.969
Area:640.549
Solvation:-5.04477
Coulombic:-42.5228
Bond Count [?]
All:31
Single:24
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:414.562
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.55
LogP (Chemaxon):3.02

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Descriptor Annotations

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