Methyl 4-{3-[3-[2-(1-Hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl}benzoate

HCID 13174084

기본 정보

표준 SMILES
COC(=O)c1ccc(CCCC2SCC(=O)N2CCC2(O)CCCCC2)cc1
InChIKey
UGTCXLAPWHWYIF-UHFFFAOYSA-N
분자식
C22H31NO4S
평균 분자량
405.6 g/mol

이름 및 식별자

우선 이름
Methyl 4-{3-[3-[2-(1-Hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl}benzoate
IUPAC
methyl 4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoate

이름 및 동의어

(+/-)-Methyl 4-[3-[3-[2-(1-Hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl]benzoate(+/-)-Methyl 4-{3-[3-[2-(1-Hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl}benzoateSCHEMBL9817210UGTCXLAPWHWYIF-UHFFFAOYSA-NMethyl 4-{3-[3-[2-(1-Hydroxycyclohexyl)-ethyl]-4-oxo-2-thiazolidinyl]propyl}benzoateMethyl 4-{3-[3-[2-(1-Hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl}benzoate

데이터베이스 식별자

PubChem CID
13174084

물성

구조 계산 물성

XLogP
4.2
극성 표면적
92.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
9
무거운 원자 수
28

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