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Chemical ID: 5915037
Chemical ID:
5915037
Name [?]:
2-chloro-N-[[2-(3,4-dimethoxyphenyl)ethyl-(2-thienylmethyl)carbamoyl]methyl]-N-(3-methoxypropyl)propanamide
SMILES [?]:
CC(C(=O)N(CCCOC)CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)Cl
InChi [?]:
InChI=1/C24H33ClN2O5S/c1-18(25)24(29)27(11-6-13-30-2)17-23(28)26(16-20-7-5-14-33-20)12-10-19-8-9-21(31-3)22(15-19)32-4/h5,7-9,14-15,18H,6,10-13,16-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,10,26,24,30,7,29,18,19,16,6,15,8,31,22,27,11,2,17,28,20,21,12,3,33,14,5,13,4,9,25,23,32/rA:33cCCCONCCCOCCCONCCCCCCCCOCOCCCCCCSCl/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s5;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s14;s27;d28;s29;d30;s28s31;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33ClN2O5S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.79504 |
Area: | 754.208 |
Solvation: | -9.06016 |
Coulombic: | -55.0486 |
Bond Count [?]
All: | 34 |
Single: | 27 |
Double: | 7 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 497.048 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.07 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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